Slight restructure of DB.

Improvments for commandline interface. Signed-off-by: MtoLStoN <[email protected]>
grimme-lab · Apr 6, 2022 · dfa7464 · dfa7464
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commit dfa7464
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Showing 370 changed files with 97 additions and 55 deletions.
diff --git a/DATABASE-gTB/2methylpyridine.cosmo → DB/gtb/2methylpyridine.cosmo b/DATABASE-gTB/2methylpyridine.cosmo → DB/gtb/2methylpyridine.cosmo
diff --git a/DATABASE-gTB/4methyl2pentanone.cosmo → DB/gtb/4methyl2pentanone.cosmo b/DATABASE-gTB/4methyl2pentanone.cosmo → DB/gtb/4methyl2pentanone.cosmo
diff --git a/DATABASE-gTB/aceticacid.cosmo → DB/gtb/aceticacid.cosmo b/DATABASE-gTB/aceticacid.cosmo → DB/gtb/aceticacid.cosmo
diff --git a/DATABASE-gTB/acetonitrile.cosmo → DB/gtb/acetonitrile.cosmo b/DATABASE-gTB/acetonitrile.cosmo → DB/gtb/acetonitrile.cosmo
diff --git a/DATABASE-gTB/acetophenone.cosmo → DB/gtb/acetophenone.cosmo b/DATABASE-gTB/acetophenone.cosmo → DB/gtb/acetophenone.cosmo
diff --git a/DATABASE-gTB/aniline.cosmo → DB/gtb/aniline.cosmo b/DATABASE-gTB/aniline.cosmo → DB/gtb/aniline.cosmo
diff --git a/DATABASE-gTB/anisole.cosmo → DB/gtb/anisole.cosmo b/DATABASE-gTB/anisole.cosmo → DB/gtb/anisole.cosmo
diff --git a/DATABASE-gTB/benzene.cosmo → DB/gtb/benzene.cosmo b/DATABASE-gTB/benzene.cosmo → DB/gtb/benzene.cosmo
diff --git a/DATABASE-gTB/benzylalcohol.cosmo → DB/gtb/benzylalcohol.cosmo b/DATABASE-gTB/benzylalcohol.cosmo → DB/gtb/benzylalcohol.cosmo
diff --git a/DATABASE-gTB/bromobenzene.cosmo → DB/gtb/bromobenzene.cosmo b/DATABASE-gTB/bromobenzene.cosmo → DB/gtb/bromobenzene.cosmo
diff --git a/DATABASE-gTB/bromoethane.cosmo → DB/gtb/bromoethane.cosmo b/DATABASE-gTB/bromoethane.cosmo → DB/gtb/bromoethane.cosmo
diff --git a/DATABASE-gTB/bromoform.cosmo → DB/gtb/bromoform.cosmo b/DATABASE-gTB/bromoform.cosmo → DB/gtb/bromoform.cosmo
diff --git a/DATABASE-gTB/bromooctane.cosmo → DB/gtb/bromooctane.cosmo b/DATABASE-gTB/bromooctane.cosmo → DB/gtb/bromooctane.cosmo
diff --git a/DATABASE-gTB/butanol.cosmo → DB/gtb/butanol.cosmo b/DATABASE-gTB/butanol.cosmo → DB/gtb/butanol.cosmo
diff --git a/DATABASE-gTB/butanone.cosmo → DB/gtb/butanone.cosmo b/DATABASE-gTB/butanone.cosmo → DB/gtb/butanone.cosmo
diff --git a/DATABASE-gTB/butylacetate.cosmo → DB/gtb/butylacetate.cosmo b/DATABASE-gTB/butylacetate.cosmo → DB/gtb/butylacetate.cosmo
diff --git a/DATABASE-gTB/butylbenzene.cosmo → DB/gtb/butylbenzene.cosmo b/DATABASE-gTB/butylbenzene.cosmo → DB/gtb/butylbenzene.cosmo
diff --git a/DATABASE-gTB/carbondisulfide.cosmo → DB/gtb/carbondisulfide.cosmo b/DATABASE-gTB/carbondisulfide.cosmo → DB/gtb/carbondisulfide.cosmo
diff --git a/DATABASE-gTB/carbontet.cosmo → DB/gtb/carbontet.cosmo b/DATABASE-gTB/carbontet.cosmo → DB/gtb/carbontet.cosmo
diff --git a/DATABASE-gTB/chlorobenzene.cosmo → DB/gtb/chlorobenzene.cosmo b/DATABASE-gTB/chlorobenzene.cosmo → DB/gtb/chlorobenzene.cosmo
diff --git a/DATABASE-gTB/chloroform.cosmo → DB/gtb/chloroform.cosmo b/DATABASE-gTB/chloroform.cosmo → DB/gtb/chloroform.cosmo
diff --git a/DATABASE-gTB/chlorohexane.cosmo → DB/gtb/chlorohexane.cosmo b/DATABASE-gTB/chlorohexane.cosmo → DB/gtb/chlorohexane.cosmo
diff --git a/DATABASE-gTB/crs.param_h2o → DB/gtb/crs.param_h2o b/DATABASE-gTB/crs.param_h2o → DB/gtb/crs.param_h2o
diff --git a/DATABASE-gTB/crs.param_ot → DB/gtb/crs.param_ot b/DATABASE-gTB/crs.param_ot → DB/gtb/crs.param_ot
diff --git a/DATABASE-gTB/cyclohexane.cosmo → DB/gtb/cyclohexane.cosmo b/DATABASE-gTB/cyclohexane.cosmo → DB/gtb/cyclohexane.cosmo
diff --git a/DATABASE-gTB/cyclohexanone.cosmo → DB/gtb/cyclohexanone.cosmo b/DATABASE-gTB/cyclohexanone.cosmo → DB/gtb/cyclohexanone.cosmo
diff --git a/DATABASE-gTB/decalin.cosmo → DB/gtb/decalin.cosmo b/DATABASE-gTB/decalin.cosmo → DB/gtb/decalin.cosmo
diff --git a/DATABASE-gTB/decane.cosmo → DB/gtb/decane.cosmo b/DATABASE-gTB/decane.cosmo → DB/gtb/decane.cosmo
diff --git a/DATABASE-gTB/decanol.cosmo → DB/gtb/decanol.cosmo b/DATABASE-gTB/decanol.cosmo → DB/gtb/decanol.cosmo
diff --git a/DATABASE-gTB/dibromoethane.cosmo → DB/gtb/dibromoethane.cosmo b/DATABASE-gTB/dibromoethane.cosmo → DB/gtb/dibromoethane.cosmo
diff --git a/DATABASE-gTB/dibutylether.cosmo → DB/gtb/dibutylether.cosmo b/DATABASE-gTB/dibutylether.cosmo → DB/gtb/dibutylether.cosmo
diff --git a/DATABASE-gTB/dichloroethane.cosmo → DB/gtb/dichloroethane.cosmo b/DATABASE-gTB/dichloroethane.cosmo → DB/gtb/dichloroethane.cosmo
diff --git a/DATABASE-gTB/diethylether.cosmo → DB/gtb/diethylether.cosmo b/DATABASE-gTB/diethylether.cosmo → DB/gtb/diethylether.cosmo
diff --git a/DATABASE-gTB/diisopropylether.cosmo → DB/gtb/diisopropylether.cosmo b/DATABASE-gTB/diisopropylether.cosmo → DB/gtb/diisopropylether.cosmo
diff --git a/DATABASE-gTB/dimethylacetamide.cosmo → DB/gtb/dimethylacetamide.cosmo b/DATABASE-gTB/dimethylacetamide.cosmo → DB/gtb/dimethylacetamide.cosmo
diff --git a/DATABASE-gTB/dimethylformamide.cosmo → DB/gtb/dimethylformamide.cosmo b/DATABASE-gTB/dimethylformamide.cosmo → DB/gtb/dimethylformamide.cosmo
diff --git a/DATABASE-gTB/dimethylpyridine.cosmo → DB/gtb/dimethylpyridine.cosmo b/DATABASE-gTB/dimethylpyridine.cosmo → DB/gtb/dimethylpyridine.cosmo
diff --git a/DATABASE-gTB/dimethylsulfoxide.cosmo → DB/gtb/dimethylsulfoxide.cosmo b/DATABASE-gTB/dimethylsulfoxide.cosmo → DB/gtb/dimethylsulfoxide.cosmo
diff --git a/DATABASE-gTB/dodecane.cosmo → DB/gtb/dodecane.cosmo b/DATABASE-gTB/dodecane.cosmo → DB/gtb/dodecane.cosmo
diff --git a/DATABASE-gTB/ethanol.cosmo → DB/gtb/ethanol.cosmo b/DATABASE-gTB/ethanol.cosmo → DB/gtb/ethanol.cosmo
diff --git a/DATABASE-gTB/ethoxybenzene.cosmo → DB/gtb/ethoxybenzene.cosmo b/DATABASE-gTB/ethoxybenzene.cosmo → DB/gtb/ethoxybenzene.cosmo
diff --git a/DATABASE-gTB/ethylacetate.cosmo → DB/gtb/ethylacetate.cosmo b/DATABASE-gTB/ethylacetate.cosmo → DB/gtb/ethylacetate.cosmo
diff --git a/DATABASE-gTB/ethylbenzene.cosmo → DB/gtb/ethylbenzene.cosmo b/DATABASE-gTB/ethylbenzene.cosmo → DB/gtb/ethylbenzene.cosmo
diff --git a/DATABASE-gTB/fluorobenzene.cosmo → DB/gtb/fluorobenzene.cosmo b/DATABASE-gTB/fluorobenzene.cosmo → DB/gtb/fluorobenzene.cosmo
diff --git a/DATABASE-gTB/fluoroctane.cosmo → DB/gtb/fluoroctane.cosmo b/DATABASE-gTB/fluoroctane.cosmo → DB/gtb/fluoroctane.cosmo
diff --git a/DATABASE-gTB/heptane.cosmo → DB/gtb/heptane.cosmo b/DATABASE-gTB/heptane.cosmo → DB/gtb/heptane.cosmo
diff --git a/DATABASE-gTB/hexadecane.cosmo → DB/gtb/hexadecane.cosmo b/DATABASE-gTB/hexadecane.cosmo → DB/gtb/hexadecane.cosmo
diff --git a/DATABASE-gTB/hexadecyliodide.cosmo → DB/gtb/hexadecyliodide.cosmo b/DATABASE-gTB/hexadecyliodide.cosmo → DB/gtb/hexadecyliodide.cosmo
diff --git a/DATABASE-gTB/hexane.cosmo → DB/gtb/hexane.cosmo b/DATABASE-gTB/hexane.cosmo → DB/gtb/hexane.cosmo
diff --git a/DATABASE-gTB/hexanol.cosmo → DB/gtb/hexanol.cosmo b/DATABASE-gTB/hexanol.cosmo → DB/gtb/hexanol.cosmo
diff --git a/DATABASE-gTB/iodobenzene.cosmo → DB/gtb/iodobenzene.cosmo b/DATABASE-gTB/iodobenzene.cosmo → DB/gtb/iodobenzene.cosmo
diff --git a/DATABASE-gTB/isobutanol.cosmo → DB/gtb/isobutanol.cosmo b/DATABASE-gTB/isobutanol.cosmo → DB/gtb/isobutanol.cosmo
diff --git a/DATABASE-gTB/isooctane.cosmo → DB/gtb/isooctane.cosmo b/DATABASE-gTB/isooctane.cosmo → DB/gtb/isooctane.cosmo
diff --git a/DATABASE-gTB/isopropanol.cosmo → DB/gtb/isopropanol.cosmo b/DATABASE-gTB/isopropanol.cosmo → DB/gtb/isopropanol.cosmo
diff --git a/DATABASE-gTB/isopropylbenzene.cosmo → DB/gtb/isopropylbenzene.cosmo b/DATABASE-gTB/isopropylbenzene.cosmo → DB/gtb/isopropylbenzene.cosmo
diff --git a/DATABASE-gTB/isopropyltoluene.cosmo → DB/gtb/isopropyltoluene.cosmo b/DATABASE-gTB/isopropyltoluene.cosmo → DB/gtb/isopropyltoluene.cosmo
diff --git a/DATABASE-gTB/mcresol.cosmo → DB/gtb/mcresol.cosmo b/DATABASE-gTB/mcresol.cosmo → DB/gtb/mcresol.cosmo
diff --git a/DATABASE-gTB/mesitylene.cosmo → DB/gtb/mesitylene.cosmo b/DATABASE-gTB/mesitylene.cosmo → DB/gtb/mesitylene.cosmo
diff --git a/DATABASE-gTB/methoxyethanol.cosmo → DB/gtb/methoxyethanol.cosmo b/DATABASE-gTB/methoxyethanol.cosmo → DB/gtb/methoxyethanol.cosmo
diff --git a/DATABASE-gTB/methylenechloride.cosmo → DB/gtb/methylenechloride.cosmo b/DATABASE-gTB/methylenechloride.cosmo → DB/gtb/methylenechloride.cosmo
diff --git a/DATABASE-gTB/methylformamide.cosmo → DB/gtb/methylformamide.cosmo b/DATABASE-gTB/methylformamide.cosmo → DB/gtb/methylformamide.cosmo
diff --git a/DATABASE-gTB/nitrobenzene.cosmo → DB/gtb/nitrobenzene.cosmo b/DATABASE-gTB/nitrobenzene.cosmo → DB/gtb/nitrobenzene.cosmo
diff --git a/DATABASE-gTB/nitroethane.cosmo → DB/gtb/nitroethane.cosmo b/DATABASE-gTB/nitroethane.cosmo → DB/gtb/nitroethane.cosmo
diff --git a/DATABASE-gTB/nitromethane.cosmo → DB/gtb/nitromethane.cosmo b/DATABASE-gTB/nitromethane.cosmo → DB/gtb/nitromethane.cosmo
diff --git a/DATABASE-gTB/nonane.cosmo → DB/gtb/nonane.cosmo b/DATABASE-gTB/nonane.cosmo → DB/gtb/nonane.cosmo
diff --git a/DATABASE-gTB/nonanol.cosmo → DB/gtb/nonanol.cosmo b/DATABASE-gTB/nonanol.cosmo → DB/gtb/nonanol.cosmo
diff --git a/DATABASE-gTB/octane.cosmo → DB/gtb/octane.cosmo b/DATABASE-gTB/octane.cosmo → DB/gtb/octane.cosmo
diff --git a/DATABASE-gTB/octanol.cosmo → DB/gtb/octanol.cosmo b/DATABASE-gTB/octanol.cosmo → DB/gtb/octanol.cosmo
diff --git a/DATABASE-gTB/odichlorobenzene.cosmo → DB/gtb/odichlorobenzene.cosmo b/DATABASE-gTB/odichlorobenzene.cosmo → DB/gtb/odichlorobenzene.cosmo
diff --git a/DATABASE-gTB/onitrotoluene.cosmo → DB/gtb/onitrotoluene.cosmo b/DATABASE-gTB/onitrotoluene.cosmo → DB/gtb/onitrotoluene.cosmo
diff --git a/DATABASE-gTB/pentadecane.cosmo → DB/gtb/pentadecane.cosmo b/DATABASE-gTB/pentadecane.cosmo → DB/gtb/pentadecane.cosmo
diff --git a/DATABASE-gTB/pentane.cosmo → DB/gtb/pentane.cosmo b/DATABASE-gTB/pentane.cosmo → DB/gtb/pentane.cosmo
diff --git a/DATABASE-gTB/pentanol.cosmo → DB/gtb/pentanol.cosmo b/DATABASE-gTB/pentanol.cosmo → DB/gtb/pentanol.cosmo
diff --git a/DATABASE-gTB/perfluorobenzene.cosmo → DB/gtb/perfluorobenzene.cosmo b/DATABASE-gTB/perfluorobenzene.cosmo → DB/gtb/perfluorobenzene.cosmo
diff --git a/DATABASE-gTB/phenylether.cosmo → DB/gtb/phenylether.cosmo b/DATABASE-gTB/phenylether.cosmo → DB/gtb/phenylether.cosmo
diff --git a/DATABASE-gTB/propanol.cosmo → DB/gtb/propanol.cosmo b/DATABASE-gTB/propanol.cosmo → DB/gtb/propanol.cosmo
diff --git a/DATABASE-gTB/pyridine.cosmo → DB/gtb/pyridine.cosmo b/DATABASE-gTB/pyridine.cosmo → DB/gtb/pyridine.cosmo
diff --git a/DATABASE-gTB/secbutanol.cosmo → DB/gtb/secbutanol.cosmo b/DATABASE-gTB/secbutanol.cosmo → DB/gtb/secbutanol.cosmo
diff --git a/DATABASE-gTB/secbutylbenzene.cosmo → DB/gtb/secbutylbenzene.cosmo b/DATABASE-gTB/secbutylbenzene.cosmo → DB/gtb/secbutylbenzene.cosmo
diff --git a/DATABASE-gTB/smd_h2o → DB/gtb/smd_h2o b/DATABASE-gTB/smd_h2o → DB/gtb/smd_h2o
diff --git a/DATABASE-gTB/smd_ot → DB/gtb/smd_ot b/DATABASE-gTB/smd_ot → DB/gtb/smd_ot
diff --git a/DATABASE-gTB/tbutylbenzene.cosmo → DB/gtb/tbutylbenzene.cosmo b/DATABASE-gTB/tbutylbenzene.cosmo → DB/gtb/tbutylbenzene.cosmo
diff --git a/DATABASE-gTB/tetrachloroethene.cosmo → DB/gtb/tetrachloroethene.cosmo b/DATABASE-gTB/tetrachloroethene.cosmo → DB/gtb/tetrachloroethene.cosmo
diff --git a/DATABASE-gTB/tetrahydrofuran.cosmo → DB/gtb/tetrahydrofuran.cosmo b/DATABASE-gTB/tetrahydrofuran.cosmo → DB/gtb/tetrahydrofuran.cosmo
diff --git a/...BASE-gTB/tetrahydrothiophenedioxide.cosmo → DB/gtb/tetrahydrothiophenedioxide.cosmo b/...BASE-gTB/tetrahydrothiophenedioxide.cosmo → DB/gtb/tetrahydrothiophenedioxide.cosmo
diff --git a/DATABASE-gTB/tetralin.cosmo → DB/gtb/tetralin.cosmo b/DATABASE-gTB/tetralin.cosmo → DB/gtb/tetralin.cosmo
diff --git a/DATABASE-gTB/toluene.cosmo → DB/gtb/toluene.cosmo b/DATABASE-gTB/toluene.cosmo → DB/gtb/toluene.cosmo
diff --git a/DATABASE-gTB/tributylphosphate.cosmo → DB/gtb/tributylphosphate.cosmo b/DATABASE-gTB/tributylphosphate.cosmo → DB/gtb/tributylphosphate.cosmo
diff --git a/DATABASE-gTB/triethylamine.cosmo → DB/gtb/triethylamine.cosmo b/DATABASE-gTB/triethylamine.cosmo → DB/gtb/triethylamine.cosmo
diff --git a/DATABASE-gTB/trimethylbenzene.cosmo → DB/gtb/trimethylbenzene.cosmo b/DATABASE-gTB/trimethylbenzene.cosmo → DB/gtb/trimethylbenzene.cosmo
diff --git a/DATABASE-gTB/undecane.cosmo → DB/gtb/undecane.cosmo b/DATABASE-gTB/undecane.cosmo → DB/gtb/undecane.cosmo
diff --git a/DATABASE-gTB/water.cosmo → DB/gtb/water.cosmo b/DATABASE-gTB/water.cosmo → DB/gtb/water.cosmo
diff --git a/DATABASE-ISODENS/2methylpyridine.cosmo → DB/isodens/2methylpyridine.cosmo b/DATABASE-ISODENS/2methylpyridine.cosmo → DB/isodens/2methylpyridine.cosmo
diff --git a/DATABASE-ISODENS/4methyl2pentanone.cosmo → DB/isodens/4methyl2pentanone.cosmo b/DATABASE-ISODENS/4methyl2pentanone.cosmo → DB/isodens/4methyl2pentanone.cosmo
diff --git a/DATABASE-ISODENS/aceticacid.cosmo → DB/isodens/aceticacid.cosmo b/DATABASE-ISODENS/aceticacid.cosmo → DB/isodens/aceticacid.cosmo
diff --git a/DATABASE-ISODENS/acetonitrile.cosmo → DB/isodens/acetonitrile.cosmo b/DATABASE-ISODENS/acetonitrile.cosmo → DB/isodens/acetonitrile.cosmo
diff --git a/DATABASE-ISODENS/acetophenone.cosmo → DB/isodens/acetophenone.cosmo b/DATABASE-ISODENS/acetophenone.cosmo → DB/isodens/acetophenone.cosmo
diff --git a/DATABASE-ISODENS/aniline.cosmo → DB/isodens/aniline.cosmo b/DATABASE-ISODENS/aniline.cosmo → DB/isodens/aniline.cosmo
diff --git a/DATABASE-ISODENS/anisole.cosmo → DB/isodens/anisole.cosmo b/DATABASE-ISODENS/anisole.cosmo → DB/isodens/anisole.cosmo
diff --git a/DATABASE-ISODENS/benzene.cosmo → DB/isodens/benzene.cosmo b/DATABASE-ISODENS/benzene.cosmo → DB/isodens/benzene.cosmo
diff --git a/DATABASE-ISODENS/benzylalcohol.cosmo → DB/isodens/benzylalcohol.cosmo b/DATABASE-ISODENS/benzylalcohol.cosmo → DB/isodens/benzylalcohol.cosmo
diff --git a/DATABASE-ISODENS/bromobenzene.cosmo → DB/isodens/bromobenzene.cosmo b/DATABASE-ISODENS/bromobenzene.cosmo → DB/isodens/bromobenzene.cosmo
diff --git a/DATABASE-ISODENS/bromoethane.cosmo → DB/isodens/bromoethane.cosmo b/DATABASE-ISODENS/bromoethane.cosmo → DB/isodens/bromoethane.cosmo
diff --git a/DATABASE-ISODENS/bromoform.cosmo → DB/isodens/bromoform.cosmo b/DATABASE-ISODENS/bromoform.cosmo → DB/isodens/bromoform.cosmo
diff --git a/DATABASE-ISODENS/bromooctane.cosmo → DB/isodens/bromooctane.cosmo b/DATABASE-ISODENS/bromooctane.cosmo → DB/isodens/bromooctane.cosmo
diff --git a/DATABASE-ISODENS/butanol.cosmo → DB/isodens/butanol.cosmo b/DATABASE-ISODENS/butanol.cosmo → DB/isodens/butanol.cosmo
diff --git a/DATABASE-ISODENS/butanone.cosmo → DB/isodens/butanone.cosmo b/DATABASE-ISODENS/butanone.cosmo → DB/isodens/butanone.cosmo
diff --git a/DATABASE-ISODENS/butylacetate.cosmo → DB/isodens/butylacetate.cosmo b/DATABASE-ISODENS/butylacetate.cosmo → DB/isodens/butylacetate.cosmo
diff --git a/DATABASE-ISODENS/butylbenzene.cosmo → DB/isodens/butylbenzene.cosmo b/DATABASE-ISODENS/butylbenzene.cosmo → DB/isodens/butylbenzene.cosmo
diff --git a/DATABASE-ISODENS/carbondisulfide.cosmo → DB/isodens/carbondisulfide.cosmo b/DATABASE-ISODENS/carbondisulfide.cosmo → DB/isodens/carbondisulfide.cosmo
diff --git a/DATABASE-ISODENS/carbontet.cosmo → DB/isodens/carbontet.cosmo b/DATABASE-ISODENS/carbontet.cosmo → DB/isodens/carbontet.cosmo
diff --git a/DATABASE-ISODENS/chlorobenzene.cosmo → DB/isodens/chlorobenzene.cosmo b/DATABASE-ISODENS/chlorobenzene.cosmo → DB/isodens/chlorobenzene.cosmo
diff --git a/DATABASE-ISODENS/chloroform.cosmo → DB/isodens/chloroform.cosmo b/DATABASE-ISODENS/chloroform.cosmo → DB/isodens/chloroform.cosmo
diff --git a/DATABASE-ISODENS/chlorohexane.cosmo → DB/isodens/chlorohexane.cosmo b/DATABASE-ISODENS/chlorohexane.cosmo → DB/isodens/chlorohexane.cosmo
diff --git a/DATABASE-ISODENS/crs.param_h2o → DB/isodens/crs.param_h2o b/DATABASE-ISODENS/crs.param_h2o → DB/isodens/crs.param_h2o
diff --git a/DATABASE-ISODENS/crs.param_ot → DB/isodens/crs.param_ot b/DATABASE-ISODENS/crs.param_ot → DB/isodens/crs.param_ot
diff --git a/DATABASE-ISODENS/cyclohexane.cosmo → DB/isodens/cyclohexane.cosmo b/DATABASE-ISODENS/cyclohexane.cosmo → DB/isodens/cyclohexane.cosmo
diff --git a/DATABASE-ISODENS/cyclohexanone.cosmo → DB/isodens/cyclohexanone.cosmo b/DATABASE-ISODENS/cyclohexanone.cosmo → DB/isodens/cyclohexanone.cosmo
diff --git a/DATABASE-ISODENS/decalin.cosmo → DB/isodens/decalin.cosmo b/DATABASE-ISODENS/decalin.cosmo → DB/isodens/decalin.cosmo
diff --git a/DATABASE-ISODENS/decane.cosmo → DB/isodens/decane.cosmo b/DATABASE-ISODENS/decane.cosmo → DB/isodens/decane.cosmo
diff --git a/DATABASE-ISODENS/decanol.cosmo → DB/isodens/decanol.cosmo b/DATABASE-ISODENS/decanol.cosmo → DB/isodens/decanol.cosmo
diff --git a/DATABASE-ISODENS/dibromoethane.cosmo → DB/isodens/dibromoethane.cosmo b/DATABASE-ISODENS/dibromoethane.cosmo → DB/isodens/dibromoethane.cosmo
diff --git a/DATABASE-ISODENS/dibutylether.cosmo → DB/isodens/dibutylether.cosmo b/DATABASE-ISODENS/dibutylether.cosmo → DB/isodens/dibutylether.cosmo
diff --git a/DATABASE-ISODENS/dichloroethane.cosmo → DB/isodens/dichloroethane.cosmo b/DATABASE-ISODENS/dichloroethane.cosmo → DB/isodens/dichloroethane.cosmo
diff --git a/DATABASE-ISODENS/diethylether.cosmo → DB/isodens/diethylether.cosmo b/DATABASE-ISODENS/diethylether.cosmo → DB/isodens/diethylether.cosmo
diff --git a/DATABASE-ISODENS/diisopropylether.cosmo → DB/isodens/diisopropylether.cosmo b/DATABASE-ISODENS/diisopropylether.cosmo → DB/isodens/diisopropylether.cosmo
diff --git a/DATABASE-ISODENS/dimethylacetamide.cosmo → DB/isodens/dimethylacetamide.cosmo b/DATABASE-ISODENS/dimethylacetamide.cosmo → DB/isodens/dimethylacetamide.cosmo
diff --git a/DATABASE-ISODENS/dimethylformamide.cosmo → DB/isodens/dimethylformamide.cosmo b/DATABASE-ISODENS/dimethylformamide.cosmo → DB/isodens/dimethylformamide.cosmo
diff --git a/DATABASE-ISODENS/dimethylpyridine.cosmo → DB/isodens/dimethylpyridine.cosmo b/DATABASE-ISODENS/dimethylpyridine.cosmo → DB/isodens/dimethylpyridine.cosmo
diff --git a/DATABASE-ISODENS/dimethylsulfoxide.cosmo → DB/isodens/dimethylsulfoxide.cosmo b/DATABASE-ISODENS/dimethylsulfoxide.cosmo → DB/isodens/dimethylsulfoxide.cosmo
diff --git a/DATABASE-ISODENS/dodecane.cosmo → DB/isodens/dodecane.cosmo b/DATABASE-ISODENS/dodecane.cosmo → DB/isodens/dodecane.cosmo
diff --git a/DATABASE-ISODENS/ethanol.cosmo → DB/isodens/ethanol.cosmo b/DATABASE-ISODENS/ethanol.cosmo → DB/isodens/ethanol.cosmo
diff --git a/DATABASE-ISODENS/ethoxybenzene.cosmo → DB/isodens/ethoxybenzene.cosmo b/DATABASE-ISODENS/ethoxybenzene.cosmo → DB/isodens/ethoxybenzene.cosmo
diff --git a/DATABASE-ISODENS/ethylacetate.cosmo → DB/isodens/ethylacetate.cosmo b/DATABASE-ISODENS/ethylacetate.cosmo → DB/isodens/ethylacetate.cosmo
diff --git a/DATABASE-ISODENS/ethylbenzene.cosmo → DB/isodens/ethylbenzene.cosmo b/DATABASE-ISODENS/ethylbenzene.cosmo → DB/isodens/ethylbenzene.cosmo
diff --git a/DATABASE-ISODENS/fluorobenzene.cosmo → DB/isodens/fluorobenzene.cosmo b/DATABASE-ISODENS/fluorobenzene.cosmo → DB/isodens/fluorobenzene.cosmo
diff --git a/DATABASE-ISODENS/fluoroctane.cosmo → DB/isodens/fluoroctane.cosmo b/DATABASE-ISODENS/fluoroctane.cosmo → DB/isodens/fluoroctane.cosmo
diff --git a/DATABASE-ISODENS/heptane.cosmo → DB/isodens/heptane.cosmo b/DATABASE-ISODENS/heptane.cosmo → DB/isodens/heptane.cosmo
diff --git a/DATABASE-ISODENS/hexadecane.cosmo → DB/isodens/hexadecane.cosmo b/DATABASE-ISODENS/hexadecane.cosmo → DB/isodens/hexadecane.cosmo
diff --git a/DATABASE-ISODENS/hexadecyliodide.cosmo → DB/isodens/hexadecyliodide.cosmo b/DATABASE-ISODENS/hexadecyliodide.cosmo → DB/isodens/hexadecyliodide.cosmo
diff --git a/DATABASE-ISODENS/hexane.cosmo → DB/isodens/hexane.cosmo b/DATABASE-ISODENS/hexane.cosmo → DB/isodens/hexane.cosmo
diff --git a/DATABASE-ISODENS/hexanol.cosmo → DB/isodens/hexanol.cosmo b/DATABASE-ISODENS/hexanol.cosmo → DB/isodens/hexanol.cosmo
diff --git a/DATABASE-ISODENS/iodobenzene.cosmo → DB/isodens/iodobenzene.cosmo b/DATABASE-ISODENS/iodobenzene.cosmo → DB/isodens/iodobenzene.cosmo
diff --git a/DATABASE-ISODENS/isobutanol.cosmo → DB/isodens/isobutanol.cosmo b/DATABASE-ISODENS/isobutanol.cosmo → DB/isodens/isobutanol.cosmo
diff --git a/DATABASE-ISODENS/isooctane.cosmo → DB/isodens/isooctane.cosmo b/DATABASE-ISODENS/isooctane.cosmo → DB/isodens/isooctane.cosmo
diff --git a/DATABASE-ISODENS/isopropanol.cosmo → DB/isodens/isopropanol.cosmo b/DATABASE-ISODENS/isopropanol.cosmo → DB/isodens/isopropanol.cosmo
diff --git a/DATABASE-ISODENS/isopropylbenzene.cosmo → DB/isodens/isopropylbenzene.cosmo b/DATABASE-ISODENS/isopropylbenzene.cosmo → DB/isodens/isopropylbenzene.cosmo
diff --git a/DATABASE-ISODENS/isopropyltoluene.cosmo → DB/isodens/isopropyltoluene.cosmo b/DATABASE-ISODENS/isopropyltoluene.cosmo → DB/isodens/isopropyltoluene.cosmo
diff --git a/DATABASE-ISODENS/mcresol.cosmo → DB/isodens/mcresol.cosmo b/DATABASE-ISODENS/mcresol.cosmo → DB/isodens/mcresol.cosmo
diff --git a/DATABASE-ISODENS/mesitylene.cosmo → DB/isodens/mesitylene.cosmo b/DATABASE-ISODENS/mesitylene.cosmo → DB/isodens/mesitylene.cosmo
diff --git a/DATABASE-ISODENS/methoxyethanol.cosmo → DB/isodens/methoxyethanol.cosmo b/DATABASE-ISODENS/methoxyethanol.cosmo → DB/isodens/methoxyethanol.cosmo
diff --git a/DATABASE-ISODENS/methylenechloride.cosmo → DB/isodens/methylenechloride.cosmo b/DATABASE-ISODENS/methylenechloride.cosmo → DB/isodens/methylenechloride.cosmo
diff --git a/DATABASE-ISODENS/methylformamide.cosmo → DB/isodens/methylformamide.cosmo b/DATABASE-ISODENS/methylformamide.cosmo → DB/isodens/methylformamide.cosmo
diff --git a/DATABASE-ISODENS/nitrobenzene.cosmo → DB/isodens/nitrobenzene.cosmo b/DATABASE-ISODENS/nitrobenzene.cosmo → DB/isodens/nitrobenzene.cosmo
diff --git a/DATABASE-ISODENS/nitroethane.cosmo → DB/isodens/nitroethane.cosmo b/DATABASE-ISODENS/nitroethane.cosmo → DB/isodens/nitroethane.cosmo
diff --git a/DATABASE-ISODENS/nitromethane.cosmo → DB/isodens/nitromethane.cosmo b/DATABASE-ISODENS/nitromethane.cosmo → DB/isodens/nitromethane.cosmo
diff --git a/DATABASE-ISODENS/nonane.cosmo → DB/isodens/nonane.cosmo b/DATABASE-ISODENS/nonane.cosmo → DB/isodens/nonane.cosmo
diff --git a/DATABASE-ISODENS/nonanol.cosmo → DB/isodens/nonanol.cosmo b/DATABASE-ISODENS/nonanol.cosmo → DB/isodens/nonanol.cosmo
diff --git a/DATABASE-ISODENS/octane.cosmo → DB/isodens/octane.cosmo b/DATABASE-ISODENS/octane.cosmo → DB/isodens/octane.cosmo
diff --git a/DATABASE-ISODENS/octanol.cosmo → DB/isodens/octanol.cosmo b/DATABASE-ISODENS/octanol.cosmo → DB/isodens/octanol.cosmo
diff --git a/DATABASE-ISODENS/odichlorobenzene.cosmo → DB/isodens/odichlorobenzene.cosmo b/DATABASE-ISODENS/odichlorobenzene.cosmo → DB/isodens/odichlorobenzene.cosmo
diff --git a/DATABASE-ISODENS/onitrotoluene.cosmo → DB/isodens/onitrotoluene.cosmo b/DATABASE-ISODENS/onitrotoluene.cosmo → DB/isodens/onitrotoluene.cosmo
diff --git a/DATABASE-ISODENS/pentadecane.cosmo → DB/isodens/pentadecane.cosmo b/DATABASE-ISODENS/pentadecane.cosmo → DB/isodens/pentadecane.cosmo
diff --git a/DATABASE-ISODENS/pentane.cosmo → DB/isodens/pentane.cosmo b/DATABASE-ISODENS/pentane.cosmo → DB/isodens/pentane.cosmo
diff --git a/DATABASE-ISODENS/pentanol.cosmo → DB/isodens/pentanol.cosmo b/DATABASE-ISODENS/pentanol.cosmo → DB/isodens/pentanol.cosmo
diff --git a/DATABASE-ISODENS/perfluorobenzene.cosmo → DB/isodens/perfluorobenzene.cosmo b/DATABASE-ISODENS/perfluorobenzene.cosmo → DB/isodens/perfluorobenzene.cosmo
diff --git a/DATABASE-ISODENS/phenylether.cosmo → DB/isodens/phenylether.cosmo b/DATABASE-ISODENS/phenylether.cosmo → DB/isodens/phenylether.cosmo
diff --git a/DATABASE-ISODENS/propanol.cosmo → DB/isodens/propanol.cosmo b/DATABASE-ISODENS/propanol.cosmo → DB/isodens/propanol.cosmo
diff --git a/DATABASE-ISODENS/pyridine.cosmo → DB/isodens/pyridine.cosmo b/DATABASE-ISODENS/pyridine.cosmo → DB/isodens/pyridine.cosmo
diff --git a/DATABASE-ISODENS/secbutanol.cosmo → DB/isodens/secbutanol.cosmo b/DATABASE-ISODENS/secbutanol.cosmo → DB/isodens/secbutanol.cosmo
diff --git a/DATABASE-ISODENS/secbutylbenzene.cosmo → DB/isodens/secbutylbenzene.cosmo b/DATABASE-ISODENS/secbutylbenzene.cosmo → DB/isodens/secbutylbenzene.cosmo
diff --git a/DATABASE-ISODENS/smd_h2o → DB/isodens/smd_h2o b/DATABASE-ISODENS/smd_h2o → DB/isodens/smd_h2o
diff --git a/DATABASE-ISODENS/smd_ot → DB/isodens/smd_ot b/DATABASE-ISODENS/smd_ot → DB/isodens/smd_ot
diff --git a/DATABASE-ISODENS/tbutylbenzene.cosmo → DB/isodens/tbutylbenzene.cosmo b/DATABASE-ISODENS/tbutylbenzene.cosmo → DB/isodens/tbutylbenzene.cosmo
diff --git a/DATABASE-ISODENS/tetrachloroethene.cosmo → DB/isodens/tetrachloroethene.cosmo b/DATABASE-ISODENS/tetrachloroethene.cosmo → DB/isodens/tetrachloroethene.cosmo
diff --git a/DATABASE-ISODENS/tetrahydrofuran.cosmo → DB/isodens/tetrahydrofuran.cosmo b/DATABASE-ISODENS/tetrahydrofuran.cosmo → DB/isodens/tetrahydrofuran.cosmo
diff --git a/...-ISODENS/tetrahydrothiophenedioxide.cosmo → DB/isodens/tetrahydrothiophenedioxide.cosmo b/...-ISODENS/tetrahydrothiophenedioxide.cosmo → DB/isodens/tetrahydrothiophenedioxide.cosmo
diff --git a/DATABASE-ISODENS/tetralin.cosmo → DB/isodens/tetralin.cosmo b/DATABASE-ISODENS/tetralin.cosmo → DB/isodens/tetralin.cosmo
diff --git a/DATABASE-ISODENS/toluene.cosmo → DB/isodens/toluene.cosmo b/DATABASE-ISODENS/toluene.cosmo → DB/isodens/toluene.cosmo
diff --git a/DATABASE-ISODENS/tributylphosphate.cosmo → DB/isodens/tributylphosphate.cosmo b/DATABASE-ISODENS/tributylphosphate.cosmo → DB/isodens/tributylphosphate.cosmo
diff --git a/DATABASE-ISODENS/triethylamine.cosmo → DB/isodens/triethylamine.cosmo b/DATABASE-ISODENS/triethylamine.cosmo → DB/isodens/triethylamine.cosmo
diff --git a/DATABASE-ISODENS/trimethylbenzene.cosmo → DB/isodens/trimethylbenzene.cosmo b/DATABASE-ISODENS/trimethylbenzene.cosmo → DB/isodens/trimethylbenzene.cosmo
diff --git a/DATABASE-ISODENS/undecane.cosmo → DB/isodens/undecane.cosmo b/DATABASE-ISODENS/undecane.cosmo → DB/isodens/undecane.cosmo
diff --git a/DATABASE-ISODENS/water.cosmo → DB/isodens/water.cosmo b/DATABASE-ISODENS/water.cosmo → DB/isodens/water.cosmo
diff --git a/DATABASE-ORCA/2methylpyridine.cosmo → DB/orca/2methylpyridine.cosmo b/DATABASE-ORCA/2methylpyridine.cosmo → DB/orca/2methylpyridine.cosmo
diff --git a/DATABASE-ORCA/4methyl2pentanone.cosmo → DB/orca/4methyl2pentanone.cosmo b/DATABASE-ORCA/4methyl2pentanone.cosmo → DB/orca/4methyl2pentanone.cosmo
diff --git a/DATABASE-ORCA/aceticacid.cosmo → DB/orca/aceticacid.cosmo b/DATABASE-ORCA/aceticacid.cosmo → DB/orca/aceticacid.cosmo
diff --git a/DATABASE-ORCA/acetonitrile.cosmo → DB/orca/acetonitrile.cosmo b/DATABASE-ORCA/acetonitrile.cosmo → DB/orca/acetonitrile.cosmo
diff --git a/DATABASE-ORCA/acetophenone.cosmo → DB/orca/acetophenone.cosmo b/DATABASE-ORCA/acetophenone.cosmo → DB/orca/acetophenone.cosmo
diff --git a/DATABASE-ORCA/aniline.cosmo → DB/orca/aniline.cosmo b/DATABASE-ORCA/aniline.cosmo → DB/orca/aniline.cosmo
diff --git a/DATABASE-ORCA/anisole.cosmo → DB/orca/anisole.cosmo b/DATABASE-ORCA/anisole.cosmo → DB/orca/anisole.cosmo
diff --git a/DATABASE-ORCA/benzene.cosmo → DB/orca/benzene.cosmo b/DATABASE-ORCA/benzene.cosmo → DB/orca/benzene.cosmo
diff --git a/DATABASE-ORCA/benzylalcohol.cosmo → DB/orca/benzylalcohol.cosmo b/DATABASE-ORCA/benzylalcohol.cosmo → DB/orca/benzylalcohol.cosmo
diff --git a/DATABASE-ORCA/bromobenzene.cosmo → DB/orca/bromobenzene.cosmo b/DATABASE-ORCA/bromobenzene.cosmo → DB/orca/bromobenzene.cosmo
diff --git a/DATABASE-ORCA/bromoethane.cosmo → DB/orca/bromoethane.cosmo b/DATABASE-ORCA/bromoethane.cosmo → DB/orca/bromoethane.cosmo
diff --git a/DATABASE-ORCA/bromoform.cosmo → DB/orca/bromoform.cosmo b/DATABASE-ORCA/bromoform.cosmo → DB/orca/bromoform.cosmo
diff --git a/DATABASE-ORCA/bromooctane.cosmo → DB/orca/bromooctane.cosmo b/DATABASE-ORCA/bromooctane.cosmo → DB/orca/bromooctane.cosmo
diff --git a/DATABASE-ORCA/butanol.cosmo → DB/orca/butanol.cosmo b/DATABASE-ORCA/butanol.cosmo → DB/orca/butanol.cosmo
diff --git a/DATABASE-ORCA/butanone.cosmo → DB/orca/butanone.cosmo b/DATABASE-ORCA/butanone.cosmo → DB/orca/butanone.cosmo
diff --git a/DATABASE-ORCA/butylacetate.cosmo → DB/orca/butylacetate.cosmo b/DATABASE-ORCA/butylacetate.cosmo → DB/orca/butylacetate.cosmo
diff --git a/DATABASE-ORCA/butylbenzene.cosmo → DB/orca/butylbenzene.cosmo b/DATABASE-ORCA/butylbenzene.cosmo → DB/orca/butylbenzene.cosmo
diff --git a/DATABASE-ORCA/carbondisulfide.cosmo → DB/orca/carbondisulfide.cosmo b/DATABASE-ORCA/carbondisulfide.cosmo → DB/orca/carbondisulfide.cosmo
diff --git a/DATABASE-ORCA/carbontet.cosmo → DB/orca/carbontet.cosmo b/DATABASE-ORCA/carbontet.cosmo → DB/orca/carbontet.cosmo
diff --git a/DATABASE-ORCA/chlorobenzene.cosmo → DB/orca/chlorobenzene.cosmo b/DATABASE-ORCA/chlorobenzene.cosmo → DB/orca/chlorobenzene.cosmo
diff --git a/DATABASE-ORCA/chloroform.cosmo → DB/orca/chloroform.cosmo b/DATABASE-ORCA/chloroform.cosmo → DB/orca/chloroform.cosmo
diff --git a/DATABASE-ORCA/chlorohexane.cosmo → DB/orca/chlorohexane.cosmo b/DATABASE-ORCA/chlorohexane.cosmo → DB/orca/chlorohexane.cosmo
diff --git a/DATABASE-ORCA/crs.param_h2o → DB/orca/crs.param_h2o b/DATABASE-ORCA/crs.param_h2o → DB/orca/crs.param_h2o
diff --git a/DATABASE-ORCA/crs.param_ot → DB/orca/crs.param_ot b/DATABASE-ORCA/crs.param_ot → DB/orca/crs.param_ot
diff --git a/DATABASE-ORCA/cyclohexane.cosmo → DB/orca/cyclohexane.cosmo b/DATABASE-ORCA/cyclohexane.cosmo → DB/orca/cyclohexane.cosmo
diff --git a/DATABASE-ORCA/cyclohexanone.cosmo → DB/orca/cyclohexanone.cosmo b/DATABASE-ORCA/cyclohexanone.cosmo → DB/orca/cyclohexanone.cosmo
diff --git a/DATABASE-ORCA/decalin.cosmo → DB/orca/decalin.cosmo b/DATABASE-ORCA/decalin.cosmo → DB/orca/decalin.cosmo
diff --git a/DATABASE-ORCA/decane.cosmo → DB/orca/decane.cosmo b/DATABASE-ORCA/decane.cosmo → DB/orca/decane.cosmo
diff --git a/DATABASE-ORCA/decanol.cosmo → DB/orca/decanol.cosmo b/DATABASE-ORCA/decanol.cosmo → DB/orca/decanol.cosmo
diff --git a/DATABASE-ORCA/dibromoethane.cosmo → DB/orca/dibromoethane.cosmo b/DATABASE-ORCA/dibromoethane.cosmo → DB/orca/dibromoethane.cosmo
diff --git a/DATABASE-ORCA/dibutylether.cosmo → DB/orca/dibutylether.cosmo b/DATABASE-ORCA/dibutylether.cosmo → DB/orca/dibutylether.cosmo
diff --git a/DATABASE-ORCA/dichloroethane.cosmo → DB/orca/dichloroethane.cosmo b/DATABASE-ORCA/dichloroethane.cosmo → DB/orca/dichloroethane.cosmo
diff --git a/DATABASE-ORCA/diethylether.cosmo → DB/orca/diethylether.cosmo b/DATABASE-ORCA/diethylether.cosmo → DB/orca/diethylether.cosmo
diff --git a/DATABASE-ORCA/diisopropylether.cosmo → DB/orca/diisopropylether.cosmo b/DATABASE-ORCA/diisopropylether.cosmo → DB/orca/diisopropylether.cosmo
diff --git a/DATABASE-ORCA/dimethylacetamide.cosmo → DB/orca/dimethylacetamide.cosmo b/DATABASE-ORCA/dimethylacetamide.cosmo → DB/orca/dimethylacetamide.cosmo
diff --git a/DATABASE-ORCA/dimethylformamide.cosmo → DB/orca/dimethylformamide.cosmo b/DATABASE-ORCA/dimethylformamide.cosmo → DB/orca/dimethylformamide.cosmo
diff --git a/DATABASE-ORCA/dimethylpyridine.cosmo → DB/orca/dimethylpyridine.cosmo b/DATABASE-ORCA/dimethylpyridine.cosmo → DB/orca/dimethylpyridine.cosmo
diff --git a/DATABASE-ORCA/dimethylsulfoxide.cosmo → DB/orca/dimethylsulfoxide.cosmo b/DATABASE-ORCA/dimethylsulfoxide.cosmo → DB/orca/dimethylsulfoxide.cosmo
diff --git a/DATABASE-ORCA/dodecane.cosmo → DB/orca/dodecane.cosmo b/DATABASE-ORCA/dodecane.cosmo → DB/orca/dodecane.cosmo
diff --git a/DATABASE-ORCA/ethanol.cosmo → DB/orca/ethanol.cosmo b/DATABASE-ORCA/ethanol.cosmo → DB/orca/ethanol.cosmo
diff --git a/DATABASE-ORCA/ethoxybenzene.cosmo → DB/orca/ethoxybenzene.cosmo b/DATABASE-ORCA/ethoxybenzene.cosmo → DB/orca/ethoxybenzene.cosmo
diff --git a/DATABASE-ORCA/ethylacetate.cosmo → DB/orca/ethylacetate.cosmo b/DATABASE-ORCA/ethylacetate.cosmo → DB/orca/ethylacetate.cosmo
diff --git a/DATABASE-ORCA/ethylbenzene.cosmo → DB/orca/ethylbenzene.cosmo b/DATABASE-ORCA/ethylbenzene.cosmo → DB/orca/ethylbenzene.cosmo
diff --git a/DATABASE-ORCA/fluorobenzene.cosmo → DB/orca/fluorobenzene.cosmo b/DATABASE-ORCA/fluorobenzene.cosmo → DB/orca/fluorobenzene.cosmo
diff --git a/DATABASE-ORCA/fluoroctane.cosmo → DB/orca/fluoroctane.cosmo b/DATABASE-ORCA/fluoroctane.cosmo → DB/orca/fluoroctane.cosmo
diff --git a/DATABASE-ORCA/heptane.cosmo → DB/orca/heptane.cosmo b/DATABASE-ORCA/heptane.cosmo → DB/orca/heptane.cosmo
diff --git a/DATABASE-ORCA/hexadecane.cosmo → DB/orca/hexadecane.cosmo b/DATABASE-ORCA/hexadecane.cosmo → DB/orca/hexadecane.cosmo
diff --git a/DATABASE-ORCA/hexadecyliodide.cosmo → DB/orca/hexadecyliodide.cosmo b/DATABASE-ORCA/hexadecyliodide.cosmo → DB/orca/hexadecyliodide.cosmo
diff --git a/DATABASE-ORCA/hexane.cosmo → DB/orca/hexane.cosmo b/DATABASE-ORCA/hexane.cosmo → DB/orca/hexane.cosmo
diff --git a/DATABASE-ORCA/hexanol.cosmo → DB/orca/hexanol.cosmo b/DATABASE-ORCA/hexanol.cosmo → DB/orca/hexanol.cosmo
diff --git a/DATABASE-ORCA/iodobenzene.cosmo → DB/orca/iodobenzene.cosmo b/DATABASE-ORCA/iodobenzene.cosmo → DB/orca/iodobenzene.cosmo
diff --git a/DATABASE-ORCA/isobutanol.cosmo → DB/orca/isobutanol.cosmo b/DATABASE-ORCA/isobutanol.cosmo → DB/orca/isobutanol.cosmo
diff --git a/DATABASE-ORCA/isooctane.cosmo → DB/orca/isooctane.cosmo b/DATABASE-ORCA/isooctane.cosmo → DB/orca/isooctane.cosmo
diff --git a/DATABASE-ORCA/isopropanol.cosmo → DB/orca/isopropanol.cosmo b/DATABASE-ORCA/isopropanol.cosmo → DB/orca/isopropanol.cosmo
diff --git a/DATABASE-ORCA/isopropylbenzene.cosmo → DB/orca/isopropylbenzene.cosmo b/DATABASE-ORCA/isopropylbenzene.cosmo → DB/orca/isopropylbenzene.cosmo
diff --git a/DATABASE-ORCA/isopropyltoluene.cosmo → DB/orca/isopropyltoluene.cosmo b/DATABASE-ORCA/isopropyltoluene.cosmo → DB/orca/isopropyltoluene.cosmo
diff --git a/DATABASE-ORCA/mcresol.cosmo → DB/orca/mcresol.cosmo b/DATABASE-ORCA/mcresol.cosmo → DB/orca/mcresol.cosmo
diff --git a/DATABASE-ORCA/mesitylene.cosmo → DB/orca/mesitylene.cosmo b/DATABASE-ORCA/mesitylene.cosmo → DB/orca/mesitylene.cosmo
diff --git a/DATABASE-ORCA/methoxyethanol.cosmo → DB/orca/methoxyethanol.cosmo b/DATABASE-ORCA/methoxyethanol.cosmo → DB/orca/methoxyethanol.cosmo
diff --git a/DATABASE-ORCA/methylenechloride.cosmo → DB/orca/methylenechloride.cosmo b/DATABASE-ORCA/methylenechloride.cosmo → DB/orca/methylenechloride.cosmo
diff --git a/DATABASE-ORCA/methylformamide.cosmo → DB/orca/methylformamide.cosmo b/DATABASE-ORCA/methylformamide.cosmo → DB/orca/methylformamide.cosmo
diff --git a/DATABASE-ORCA/nitrobenzene.cosmo → DB/orca/nitrobenzene.cosmo b/DATABASE-ORCA/nitrobenzene.cosmo → DB/orca/nitrobenzene.cosmo
diff --git a/DATABASE-ORCA/nitroethane.cosmo → DB/orca/nitroethane.cosmo b/DATABASE-ORCA/nitroethane.cosmo → DB/orca/nitroethane.cosmo
diff --git a/DATABASE-ORCA/nitromethane.cosmo → DB/orca/nitromethane.cosmo b/DATABASE-ORCA/nitromethane.cosmo → DB/orca/nitromethane.cosmo
diff --git a/DATABASE-ORCA/nonane.cosmo → DB/orca/nonane.cosmo b/DATABASE-ORCA/nonane.cosmo → DB/orca/nonane.cosmo
diff --git a/DATABASE-ORCA/nonanol.cosmo → DB/orca/nonanol.cosmo b/DATABASE-ORCA/nonanol.cosmo → DB/orca/nonanol.cosmo
diff --git a/DATABASE-ORCA/octane.cosmo → DB/orca/octane.cosmo b/DATABASE-ORCA/octane.cosmo → DB/orca/octane.cosmo
diff --git a/DATABASE-ORCA/octanol.cosmo → DB/orca/octanol.cosmo b/DATABASE-ORCA/octanol.cosmo → DB/orca/octanol.cosmo
diff --git a/DATABASE-ORCA/odichlorobenzene.cosmo → DB/orca/odichlorobenzene.cosmo b/DATABASE-ORCA/odichlorobenzene.cosmo → DB/orca/odichlorobenzene.cosmo
diff --git a/DATABASE-ORCA/onitrotoluene.cosmo → DB/orca/onitrotoluene.cosmo b/DATABASE-ORCA/onitrotoluene.cosmo → DB/orca/onitrotoluene.cosmo
diff --git a/DATABASE-ORCA/pentadecane.cosmo → DB/orca/pentadecane.cosmo b/DATABASE-ORCA/pentadecane.cosmo → DB/orca/pentadecane.cosmo
diff --git a/DATABASE-ORCA/pentane.cosmo → DB/orca/pentane.cosmo b/DATABASE-ORCA/pentane.cosmo → DB/orca/pentane.cosmo
diff --git a/DATABASE-ORCA/pentanol.cosmo → DB/orca/pentanol.cosmo b/DATABASE-ORCA/pentanol.cosmo → DB/orca/pentanol.cosmo
diff --git a/DATABASE-ORCA/perfluorobenzene.cosmo → DB/orca/perfluorobenzene.cosmo b/DATABASE-ORCA/perfluorobenzene.cosmo → DB/orca/perfluorobenzene.cosmo
diff --git a/DATABASE-ORCA/phenylether.cosmo → DB/orca/phenylether.cosmo b/DATABASE-ORCA/phenylether.cosmo → DB/orca/phenylether.cosmo
diff --git a/DATABASE-ORCA/propanol.cosmo → DB/orca/propanol.cosmo b/DATABASE-ORCA/propanol.cosmo → DB/orca/propanol.cosmo
diff --git a/DATABASE-ORCA/pyridine.cosmo → DB/orca/pyridine.cosmo b/DATABASE-ORCA/pyridine.cosmo → DB/orca/pyridine.cosmo
diff --git a/DATABASE-ORCA/secbutanol.cosmo → DB/orca/secbutanol.cosmo b/DATABASE-ORCA/secbutanol.cosmo → DB/orca/secbutanol.cosmo
diff --git a/DATABASE-ORCA/secbutylbenzene.cosmo → DB/orca/secbutylbenzene.cosmo b/DATABASE-ORCA/secbutylbenzene.cosmo → DB/orca/secbutylbenzene.cosmo
diff --git a/DATABASE-ORCA/smd_h2o → DB/orca/smd_h2o b/DATABASE-ORCA/smd_h2o → DB/orca/smd_h2o
diff --git a/DATABASE-ORCA/smd_ot → DB/orca/smd_ot b/DATABASE-ORCA/smd_ot → DB/orca/smd_ot
diff --git a/DATABASE-ORCA/tbutylbenzene.cosmo → DB/orca/tbutylbenzene.cosmo b/DATABASE-ORCA/tbutylbenzene.cosmo → DB/orca/tbutylbenzene.cosmo
diff --git a/DATABASE-ORCA/tetrachloroethene.cosmo → DB/orca/tetrachloroethene.cosmo b/DATABASE-ORCA/tetrachloroethene.cosmo → DB/orca/tetrachloroethene.cosmo
diff --git a/DATABASE-ORCA/tetrahydrofuran.cosmo → DB/orca/tetrahydrofuran.cosmo b/DATABASE-ORCA/tetrahydrofuran.cosmo → DB/orca/tetrahydrofuran.cosmo
diff --git a/...ASE-ORCA/tetrahydrothiophenedioxide.cosmo → DB/orca/tetrahydrothiophenedioxide.cosmo b/...ASE-ORCA/tetrahydrothiophenedioxide.cosmo → DB/orca/tetrahydrothiophenedioxide.cosmo
diff --git a/DATABASE-ORCA/tetralin.cosmo → DB/orca/tetralin.cosmo b/DATABASE-ORCA/tetralin.cosmo → DB/orca/tetralin.cosmo
diff --git a/DATABASE-ORCA/toluene.cosmo → DB/orca/toluene.cosmo b/DATABASE-ORCA/toluene.cosmo → DB/orca/toluene.cosmo
diff --git a/DATABASE-ORCA/tributylphosphate.cosmo → DB/orca/tributylphosphate.cosmo b/DATABASE-ORCA/tributylphosphate.cosmo → DB/orca/tributylphosphate.cosmo
diff --git a/DATABASE-ORCA/triethylamine.cosmo → DB/orca/triethylamine.cosmo b/DATABASE-ORCA/triethylamine.cosmo → DB/orca/triethylamine.cosmo
diff --git a/DATABASE-ORCA/trimethylbenzene.cosmo → DB/orca/trimethylbenzene.cosmo b/DATABASE-ORCA/trimethylbenzene.cosmo → DB/orca/trimethylbenzene.cosmo
diff --git a/DATABASE-ORCA/undecane.cosmo → DB/orca/undecane.cosmo b/DATABASE-ORCA/undecane.cosmo → DB/orca/undecane.cosmo
diff --git a/DATABASE-ORCA/water.cosmo → DB/orca/water.cosmo b/DATABASE-ORCA/water.cosmo → DB/orca/water.cosmo
diff --git a/DATABASE-TM/2methylpyridine.cosmo → DB/tm/2methylpyridine.cosmo b/DATABASE-TM/2methylpyridine.cosmo → DB/tm/2methylpyridine.cosmo
diff --git a/DATABASE-TM/4methyl2pentanone.cosmo → DB/tm/4methyl2pentanone.cosmo b/DATABASE-TM/4methyl2pentanone.cosmo → DB/tm/4methyl2pentanone.cosmo
diff --git a/DATABASE-TM/aceticacid.cosmo → DB/tm/aceticacid.cosmo b/DATABASE-TM/aceticacid.cosmo → DB/tm/aceticacid.cosmo
diff --git a/DATABASE-TM/acetonitrile.cosmo → DB/tm/acetonitrile.cosmo b/DATABASE-TM/acetonitrile.cosmo → DB/tm/acetonitrile.cosmo
diff --git a/DATABASE-TM/acetophenone.cosmo → DB/tm/acetophenone.cosmo b/DATABASE-TM/acetophenone.cosmo → DB/tm/acetophenone.cosmo
diff --git a/DATABASE-TM/aniline.cosmo → DB/tm/aniline.cosmo b/DATABASE-TM/aniline.cosmo → DB/tm/aniline.cosmo
diff --git a/DATABASE-TM/anisole.cosmo → DB/tm/anisole.cosmo b/DATABASE-TM/anisole.cosmo → DB/tm/anisole.cosmo
diff --git a/DATABASE-TM/benzene.cosmo → DB/tm/benzene.cosmo b/DATABASE-TM/benzene.cosmo → DB/tm/benzene.cosmo
diff --git a/DATABASE-TM/benzylalcohol.cosmo → DB/tm/benzylalcohol.cosmo b/DATABASE-TM/benzylalcohol.cosmo → DB/tm/benzylalcohol.cosmo
diff --git a/DATABASE-TM/bromobenzene.cosmo → DB/tm/bromobenzene.cosmo b/DATABASE-TM/bromobenzene.cosmo → DB/tm/bromobenzene.cosmo
diff --git a/DATABASE-TM/bromoethane.cosmo → DB/tm/bromoethane.cosmo b/DATABASE-TM/bromoethane.cosmo → DB/tm/bromoethane.cosmo
diff --git a/DATABASE-TM/bromoform.cosmo → DB/tm/bromoform.cosmo b/DATABASE-TM/bromoform.cosmo → DB/tm/bromoform.cosmo
diff --git a/DATABASE-TM/bromooctane.cosmo → DB/tm/bromooctane.cosmo b/DATABASE-TM/bromooctane.cosmo → DB/tm/bromooctane.cosmo
diff --git a/DATABASE-TM/butanol.cosmo → DB/tm/butanol.cosmo b/DATABASE-TM/butanol.cosmo → DB/tm/butanol.cosmo
diff --git a/DATABASE-TM/butanone.cosmo → DB/tm/butanone.cosmo b/DATABASE-TM/butanone.cosmo → DB/tm/butanone.cosmo
diff --git a/DATABASE-TM/butylacetate.cosmo → DB/tm/butylacetate.cosmo b/DATABASE-TM/butylacetate.cosmo → DB/tm/butylacetate.cosmo
diff --git a/DATABASE-TM/butylbenzene.cosmo → DB/tm/butylbenzene.cosmo b/DATABASE-TM/butylbenzene.cosmo → DB/tm/butylbenzene.cosmo
diff --git a/DATABASE-TM/carbondisulfide.cosmo → DB/tm/carbondisulfide.cosmo b/DATABASE-TM/carbondisulfide.cosmo → DB/tm/carbondisulfide.cosmo
diff --git a/DATABASE-TM/carbontet.cosmo → DB/tm/carbontet.cosmo b/DATABASE-TM/carbontet.cosmo → DB/tm/carbontet.cosmo
diff --git a/DATABASE-TM/chlorobenzene.cosmo → DB/tm/chlorobenzene.cosmo b/DATABASE-TM/chlorobenzene.cosmo → DB/tm/chlorobenzene.cosmo
diff --git a/DATABASE-TM/chloroform.cosmo → DB/tm/chloroform.cosmo b/DATABASE-TM/chloroform.cosmo → DB/tm/chloroform.cosmo
diff --git a/DATABASE-TM/chlorohexane.cosmo → DB/tm/chlorohexane.cosmo b/DATABASE-TM/chlorohexane.cosmo → DB/tm/chlorohexane.cosmo
diff --git a/DATABASE-TM/crs.param_h2o → DB/tm/crs.param_h2o b/DATABASE-TM/crs.param_h2o → DB/tm/crs.param_h2o
diff --git a/DATABASE-TM/crs.param_ot → DB/tm/crs.param_ot b/DATABASE-TM/crs.param_ot → DB/tm/crs.param_ot