diff --git a/static/data/abs/acetaldehyde_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/acetaldehyde_CC3(FC)_aug-cc-pVDZ.dat index 76e5d8c6..a540f0b0 100644 --- a/static/data/abs/acetaldehyde_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/acetaldehyde_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Acetaldehyde # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/acetaldehyde_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/acetaldehyde_CC3(FC)_aug-cc-pVQZ.dat index a7be6128..78c481a7 100644 --- a/static/data/abs/acetaldehyde_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/acetaldehyde_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Acetaldehyde # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/acetaldehyde_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_CC3(FC)_aug-cc-pVTZ.dat index 54b7d908..3e157983 100644 --- a/static/data/abs/acetaldehyde_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/acetaldehyde_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Acetaldehyde # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/acetylene_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/acetylene_CC3(FC)_aug-cc-pVDZ.dat index 28666a01..7c2354b4 100644 --- a/static/data/abs/acetylene_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/acetylene_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Acetylene # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/acetylene_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/acetylene_CC3(FC)_aug-cc-pVQZ.dat index 078f3948..fdbe1d63 100644 --- a/static/data/abs/acetylene_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/acetylene_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Acetylene # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/acetylene_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/acetylene_CC3(FC)_aug-cc-pVTZ.dat index 398af798..ff6219e9 100644 --- a/static/data/abs/acetylene_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/acetylene_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Acetylene # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/acetylene_CC3(FC)_d-aug-cc-pVQZ.dat b/static/data/abs/acetylene_CC3(FC)_d-aug-cc-pVQZ.dat index 441ebbb8..6cac051b 100644 --- a/static/data/abs/acetylene_CC3(FC)_d-aug-cc-pVQZ.dat +++ b/static/data/abs/acetylene_CC3(FC)_d-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Acetylene # Comment : # code : -# method : CC3(FC),d-aug-cc-pVQZ +# method : CC3,d-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/ammonia_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/ammonia_CC3(FC)_aug-cc-pVDZ.dat index 49b91f5d..74dfcc2b 100644 --- a/static/data/abs/ammonia_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/ammonia_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Ammonia # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/ammonia_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/ammonia_CC3(FC)_aug-cc-pVQZ.dat index db18f0d3..1c6c2d8b 100644 --- a/static/data/abs/ammonia_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/ammonia_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Ammonia # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/ammonia_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/ammonia_CC3(FC)_aug-cc-pVTZ.dat index 48e44e3b..746b7c4d 100644 --- a/static/data/abs/ammonia_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/ammonia_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Ammonia # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/ammonia_CC3(FC)_d-aug-cc-pVQZ.dat b/static/data/abs/ammonia_CC3(FC)_d-aug-cc-pVQZ.dat index 7dc9330c..bebeaa7c 100644 --- a/static/data/abs/ammonia_CC3(FC)_d-aug-cc-pVQZ.dat +++ b/static/data/abs/ammonia_CC3(FC)_d-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Ammonia # Comment : # code : -# method : CC3(FC),d-aug-cc-pVQZ +# method : CC3,d-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/ammonia_CC3(FC)_d-aug-cc-pVTZ.dat b/static/data/abs/ammonia_CC3(FC)_d-aug-cc-pVTZ.dat index 5a34b506..f2560ebc 100644 --- a/static/data/abs/ammonia_CC3(FC)_d-aug-cc-pVTZ.dat +++ b/static/data/abs/ammonia_CC3(FC)_d-aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Ammonia # Comment : # code : -# method : CC3(FC),d-aug-cc-pVTZ +# method : CC3,d-aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/ammonia_CC3(FC)_t-aug-cc-pVQZ.dat b/static/data/abs/ammonia_CC3(FC)_t-aug-cc-pVQZ.dat index 254d73be..286b6dc9 100644 --- a/static/data/abs/ammonia_CC3(FC)_t-aug-cc-pVQZ.dat +++ b/static/data/abs/ammonia_CC3(FC)_t-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Ammonia # Comment : # code : -# method : CC3(FC),t-aug-cc-pVQZ +# method : CC3,t-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/carbon_monoxide_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/carbon_monoxide_CC3(FC)_aug-cc-pVDZ.dat index c6eef06a..40022fe3 100644 --- a/static/data/abs/carbon_monoxide_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/carbon_monoxide_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Carbon monoxide # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/carbon_monoxide_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/carbon_monoxide_CC3(FC)_aug-cc-pVQZ.dat index 0162b41e..98be1c5b 100644 --- a/static/data/abs/carbon_monoxide_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/carbon_monoxide_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Carbon monoxide # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/carbon_monoxide_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_CC3(FC)_aug-cc-pVTZ.dat index 1c2602cb..96bc618f 100644 --- a/static/data/abs/carbon_monoxide_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/carbon_monoxide_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Carbon monoxide # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/carbon_monoxide_CC3(FC)_d-aug-cc-pVQZ.dat b/static/data/abs/carbon_monoxide_CC3(FC)_d-aug-cc-pVQZ.dat index 49db445f..e285fba6 100644 --- a/static/data/abs/carbon_monoxide_CC3(FC)_d-aug-cc-pVQZ.dat +++ b/static/data/abs/carbon_monoxide_CC3(FC)_d-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Carbon monoxide # Comment : # code : -# method : CC3(FC),d-aug-cc-pVQZ +# method : CC3,d-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/carbon_monoxide_CC3(FC)_t-aug-cc-pVQZ.dat b/static/data/abs/carbon_monoxide_CC3(FC)_t-aug-cc-pVQZ.dat index d67a60a9..f4c87238 100644 --- a/static/data/abs/carbon_monoxide_CC3(FC)_t-aug-cc-pVQZ.dat +++ b/static/data/abs/carbon_monoxide_CC3(FC)_t-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Carbon monoxide # Comment : # code : -# method : CC3(FC),t-aug-cc-pVQZ +# method : CC3,t-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/cyclopropene_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/cyclopropene_CC3(FC)_aug-cc-pVDZ.dat index 031089b4..52f0c643 100644 --- a/static/data/abs/cyclopropene_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/cyclopropene_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Cyclopropene # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/cyclopropene_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/cyclopropene_CC3(FC)_aug-cc-pVQZ.dat index d595217d..8ea2c05a 100644 --- a/static/data/abs/cyclopropene_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/cyclopropene_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Cyclopropene # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/cyclopropene_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_CC3(FC)_aug-cc-pVTZ.dat index 5c8a98da..94a8c02b 100644 --- a/static/data/abs/cyclopropene_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cyclopropene_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Cyclopropene # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/diazomethane_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/diazomethane_CC3(FC)_aug-cc-pVDZ.dat index 63cae97d..814faad4 100644 --- a/static/data/abs/diazomethane_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/diazomethane_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Diazomethane # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/diazomethane_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/diazomethane_CC3(FC)_aug-cc-pVQZ.dat index c0bc0359..3f7a5e73 100644 --- a/static/data/abs/diazomethane_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/diazomethane_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Diazomethane # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/diazomethane_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_CC3(FC)_aug-cc-pVTZ.dat index bfb3a054..6d20fd9e 100644 --- a/static/data/abs/diazomethane_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/diazomethane_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Diazomethane # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/dinitrogen_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/dinitrogen_CC3(FC)_aug-cc-pVDZ.dat index 631aaf80..94f9a3ae 100644 --- a/static/data/abs/dinitrogen_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/dinitrogen_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Dinitrogen # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/dinitrogen_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CC3(FC)_aug-cc-pVQZ.dat index b18316d4..8387a590 100644 --- a/static/data/abs/dinitrogen_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/dinitrogen_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Dinitrogen # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/dinitrogen_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CC3(FC)_aug-cc-pVTZ.dat index e2e0a7b2..a4001719 100644 --- a/static/data/abs/dinitrogen_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/dinitrogen_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Dinitrogen # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/dinitrogen_CC3(FC)_d-aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CC3(FC)_d-aug-cc-pVQZ.dat index 6831427e..14ad52d3 100644 --- a/static/data/abs/dinitrogen_CC3(FC)_d-aug-cc-pVQZ.dat +++ b/static/data/abs/dinitrogen_CC3(FC)_d-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Dinitrogen # Comment : # code : -# method : CC3(FC),d-aug-cc-pVQZ +# method : CC3,d-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/dinitrogen_CC3(FC)_t-aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CC3(FC)_t-aug-cc-pVQZ.dat index 9a759f37..ac0495b9 100644 --- a/static/data/abs/dinitrogen_CC3(FC)_t-aug-cc-pVQZ.dat +++ b/static/data/abs/dinitrogen_CC3(FC)_t-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Dinitrogen # Comment : # code : -# method : CC3(FC),t-aug-cc-pVQZ +# method : CC3,t-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/ethylene_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/ethylene_CC3(FC)_aug-cc-pVDZ.dat index a889775e..f32300ce 100644 --- a/static/data/abs/ethylene_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/ethylene_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Ethylene # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/ethylene_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/ethylene_CC3(FC)_aug-cc-pVQZ.dat index 43a9874c..5866f5d0 100644 --- a/static/data/abs/ethylene_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/ethylene_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Ethylene # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/ethylene_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/ethylene_CC3(FC)_aug-cc-pVTZ.dat index 5234d880..3d2299b5 100644 --- a/static/data/abs/ethylene_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/ethylene_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Ethylene # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/ethylene_CC3(FC)_d-aug-cc-pVQZ.dat b/static/data/abs/ethylene_CC3(FC)_d-aug-cc-pVQZ.dat index 06c248a1..f40f6733 100644 --- a/static/data/abs/ethylene_CC3(FC)_d-aug-cc-pVQZ.dat +++ b/static/data/abs/ethylene_CC3(FC)_d-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Ethylene # Comment : # code : -# method : CC3(FC),d-aug-cc-pVQZ +# method : CC3,d-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/formaldehyde_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/formaldehyde_CC3(FC)_aug-cc-pVDZ.dat index 692c89ea..d20f8957 100644 --- a/static/data/abs/formaldehyde_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/formaldehyde_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Formaldehyde # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/formaldehyde_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/formaldehyde_CC3(FC)_aug-cc-pVQZ.dat index cec3c5df..8b743d03 100644 --- a/static/data/abs/formaldehyde_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/formaldehyde_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Formaldehyde # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/formaldehyde_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_CC3(FC)_aug-cc-pVTZ.dat index 51f77977..84f094bb 100644 --- a/static/data/abs/formaldehyde_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/formaldehyde_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Formaldehyde # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/formaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat b/static/data/abs/formaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat index 9f4d9f2e..3776f8bd 100644 --- a/static/data/abs/formaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat +++ b/static/data/abs/formaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Formaldehyde # Comment : # code : -# method : CC3(FC),d-aug-cc-pVQZ +# method : CC3,d-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/formamide_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/formamide_CC3(FC)_aug-cc-pVDZ.dat index 3640758e..6d6ad218 100644 --- a/static/data/abs/formamide_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/formamide_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Formamide # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/formamide_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/formamide_CC3(FC)_aug-cc-pVQZ.dat index 965b0ec0..28f2eb24 100644 --- a/static/data/abs/formamide_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/formamide_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Formamide # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/formamide_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/formamide_CC3(FC)_aug-cc-pVTZ.dat index 2f5cef6f..dc114c9d 100644 --- a/static/data/abs/formamide_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/formamide_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Formamide # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/hydrogen_chloride_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/hydrogen_chloride_CC3(FC)_aug-cc-pVDZ.dat index b0f2426b..11d0a5c6 100644 --- a/static/data/abs/hydrogen_chloride_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/hydrogen_chloride_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Hydrogen chloride # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/hydrogen_chloride_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/hydrogen_chloride_CC3(FC)_aug-cc-pVQZ.dat index 23343934..c8472a02 100644 --- a/static/data/abs/hydrogen_chloride_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/hydrogen_chloride_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Hydrogen chloride # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/hydrogen_chloride_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CC3(FC)_aug-cc-pVTZ.dat index 52455a3d..9b996de1 100644 --- a/static/data/abs/hydrogen_chloride_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hydrogen_chloride_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Hydrogen chloride # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/hydrogen_chloride_CC3(FC)_d-aug-cc-pVQZ.dat b/static/data/abs/hydrogen_chloride_CC3(FC)_d-aug-cc-pVQZ.dat index 81d0d1ad..3be15fac 100644 --- a/static/data/abs/hydrogen_chloride_CC3(FC)_d-aug-cc-pVQZ.dat +++ b/static/data/abs/hydrogen_chloride_CC3(FC)_d-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Hydrogen chloride # Comment : # code : -# method : CC3(FC),d-aug-cc-pVQZ +# method : CC3,d-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/hydrogen_chloride_CC3(FC)_d-aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CC3(FC)_d-aug-cc-pVTZ.dat index e8313606..9f927531 100644 --- a/static/data/abs/hydrogen_chloride_CC3(FC)_d-aug-cc-pVTZ.dat +++ b/static/data/abs/hydrogen_chloride_CC3(FC)_d-aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Hydrogen chloride # Comment : # code : -# method : CC3(FC),d-aug-cc-pVTZ +# method : CC3,d-aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/hydrogen_chloride_CC3(FC)_t-aug-cc-pVQZ.dat b/static/data/abs/hydrogen_chloride_CC3(FC)_t-aug-cc-pVQZ.dat index 76c26f47..6f13a5b4 100644 --- a/static/data/abs/hydrogen_chloride_CC3(FC)_t-aug-cc-pVQZ.dat +++ b/static/data/abs/hydrogen_chloride_CC3(FC)_t-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Hydrogen chloride # Comment : # code : -# method : CC3(FC),t-aug-cc-pVQZ +# method : CC3,t-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/hydrogen_sulfide_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/hydrogen_sulfide_CC3(FC)_aug-cc-pVDZ.dat index f2b5f956..e5c6eef9 100644 --- a/static/data/abs/hydrogen_sulfide_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/hydrogen_sulfide_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Hydrogen sulfide # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/hydrogen_sulfide_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/hydrogen_sulfide_CC3(FC)_aug-cc-pVQZ.dat index b6248575..02e1abd2 100644 --- a/static/data/abs/hydrogen_sulfide_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/hydrogen_sulfide_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Hydrogen sulfide # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/hydrogen_sulfide_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_CC3(FC)_aug-cc-pVTZ.dat index f9139b24..e82ffcef 100644 --- a/static/data/abs/hydrogen_sulfide_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hydrogen_sulfide_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Hydrogen sulfide # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/hydrogen_sulfide_CC3(FC)_d-aug-cc-pVQZ.dat b/static/data/abs/hydrogen_sulfide_CC3(FC)_d-aug-cc-pVQZ.dat index 37e01ad3..d93fae69 100644 --- a/static/data/abs/hydrogen_sulfide_CC3(FC)_d-aug-cc-pVQZ.dat +++ b/static/data/abs/hydrogen_sulfide_CC3(FC)_d-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Hydrogen sulfide # Comment : # code : -# method : CC3(FC),d-aug-cc-pVQZ +# method : CC3,d-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/hydrogen_sulfide_CC3(FC)_d-aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_CC3(FC)_d-aug-cc-pVTZ.dat index e09e75c9..d2c99c23 100644 --- a/static/data/abs/hydrogen_sulfide_CC3(FC)_d-aug-cc-pVTZ.dat +++ b/static/data/abs/hydrogen_sulfide_CC3(FC)_d-aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Hydrogen sulfide # Comment : # code : -# method : CC3(FC),d-aug-cc-pVTZ +# method : CC3,d-aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/hydrogen_sulfide_CC3(FC)_t-aug-cc-pVQZ.dat b/static/data/abs/hydrogen_sulfide_CC3(FC)_t-aug-cc-pVQZ.dat index e00c8bc8..fd37efab 100644 --- a/static/data/abs/hydrogen_sulfide_CC3(FC)_t-aug-cc-pVQZ.dat +++ b/static/data/abs/hydrogen_sulfide_CC3(FC)_t-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Hydrogen sulfide # Comment : # code : -# method : CC3(FC),t-aug-cc-pVQZ +# method : CC3,t-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/ketene_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/ketene_CC3(FC)_aug-cc-pVDZ.dat index d2052868..d8d46d5f 100644 --- a/static/data/abs/ketene_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/ketene_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Ketene # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/ketene_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/ketene_CC3(FC)_aug-cc-pVQZ.dat index 2c3888f0..b5bb0216 100644 --- a/static/data/abs/ketene_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/ketene_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Ketene # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/ketene_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/ketene_CC3(FC)_aug-cc-pVTZ.dat index d3ca3757..11c93240 100644 --- a/static/data/abs/ketene_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/ketene_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Ketene # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/methanimine_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/methanimine_CC3(FC)_aug-cc-pVDZ.dat index 76b9c58a..eb347027 100644 --- a/static/data/abs/methanimine_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/methanimine_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Methanimine # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/methanimine_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/methanimine_CC3(FC)_aug-cc-pVQZ.dat index 798a3daf..6a4b11bc 100644 --- a/static/data/abs/methanimine_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/methanimine_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Methanimine # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/methanimine_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/methanimine_CC3(FC)_aug-cc-pVTZ.dat index 121c8009..070a5488 100644 --- a/static/data/abs/methanimine_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/methanimine_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Methanimine # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/methanimine_CC3(FC)_d-aug-cc-pVQZ.dat b/static/data/abs/methanimine_CC3(FC)_d-aug-cc-pVQZ.dat index 2d2f887c..13e62ebc 100644 --- a/static/data/abs/methanimine_CC3(FC)_d-aug-cc-pVQZ.dat +++ b/static/data/abs/methanimine_CC3(FC)_d-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Methanimine # Comment : # code : -# method : CC3(FC),d-aug-cc-pVQZ +# method : CC3,d-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/nitrosomethane_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/nitrosomethane_CC3(FC)_aug-cc-pVDZ.dat index 9186a100..578a647a 100644 --- a/static/data/abs/nitrosomethane_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/nitrosomethane_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Nitrosomethane # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/nitrosomethane_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/nitrosomethane_CC3(FC)_aug-cc-pVQZ.dat index 3bb5d349..0ca63b1d 100644 --- a/static/data/abs/nitrosomethane_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/nitrosomethane_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Nitrosomethane # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/nitrosomethane_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_CC3(FC)_aug-cc-pVTZ.dat index d882977c..da7db38f 100644 --- a/static/data/abs/nitrosomethane_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/nitrosomethane_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Nitrosomethane # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/thioformaldehyde_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/thioformaldehyde_CC3(FC)_aug-cc-pVDZ.dat index cb2c61b3..5a07248a 100644 --- a/static/data/abs/thioformaldehyde_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/thioformaldehyde_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Thioformaldehyde # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/thioformaldehyde_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/thioformaldehyde_CC3(FC)_aug-cc-pVQZ.dat index cb88f5fb..a7e32a6a 100644 --- a/static/data/abs/thioformaldehyde_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/thioformaldehyde_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Thioformaldehyde # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/thioformaldehyde_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_CC3(FC)_aug-cc-pVTZ.dat index 12bee7fc..6a451e5b 100644 --- a/static/data/abs/thioformaldehyde_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/thioformaldehyde_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Thioformaldehyde # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/thioformaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat b/static/data/abs/thioformaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat index 9986fbc4..5c62a574 100644 --- a/static/data/abs/thioformaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat +++ b/static/data/abs/thioformaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Thioformaldehyde # Comment : # code : -# method : CC3(FC),d-aug-cc-pVQZ +# method : CC3,d-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/water_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/water_CC3(FC)_aug-cc-pVDZ.dat index d8ee12ec..a28b9c2c 100644 --- a/static/data/abs/water_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/water_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Water # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/water_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/water_CC3(FC)_aug-cc-pVQZ.dat index 475428c8..4ac62b5b 100644 --- a/static/data/abs/water_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/water_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Water # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/water_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/water_CC3(FC)_aug-cc-pVTZ.dat index 14ca692c..964a54b5 100644 --- a/static/data/abs/water_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/water_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Water # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/water_CC3(FC)_d-aug-cc-pVQZ.dat b/static/data/abs/water_CC3(FC)_d-aug-cc-pVQZ.dat index da21da36..4077db47 100644 --- a/static/data/abs/water_CC3(FC)_d-aug-cc-pVQZ.dat +++ b/static/data/abs/water_CC3(FC)_d-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Water # Comment : # code : -# method : CC3(FC),d-aug-cc-pVQZ +# method : CC3,d-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/water_CC3(FC)_d-aug-cc-pVTZ.dat b/static/data/abs/water_CC3(FC)_d-aug-cc-pVTZ.dat index 1160bf58..fa2b4711 100644 --- a/static/data/abs/water_CC3(FC)_d-aug-cc-pVTZ.dat +++ b/static/data/abs/water_CC3(FC)_d-aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Water # Comment : # code : -# method : CC3(FC),d-aug-cc-pVTZ +# method : CC3,d-aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/abs/water_CC3(FC)_t-aug-cc-pVQZ.dat b/static/data/abs/water_CC3(FC)_t-aug-cc-pVQZ.dat index 0556754d..d0efb7d5 100644 --- a/static/data/abs/water_CC3(FC)_t-aug-cc-pVQZ.dat +++ b/static/data/abs/water_CC3(FC)_t-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Water # Comment : # code : -# method : CC3(FC),t-aug-cc-pVQZ +# method : CC3,t-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/acetylene_CC3(FC)_aug-cc-pVDZ.dat b/static/data/fluo/acetylene_CC3(FC)_aug-cc-pVDZ.dat index 1fe0fed5..ac33a638 100644 --- a/static/data/fluo/acetylene_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/fluo/acetylene_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Acetylene # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/acetylene_CC3(FC)_aug-cc-pVQZ.dat b/static/data/fluo/acetylene_CC3(FC)_aug-cc-pVQZ.dat index af16ebf1..bc4e213b 100644 --- a/static/data/fluo/acetylene_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/fluo/acetylene_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Acetylene # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/acetylene_CC3(FC)_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_CC3(FC)_aug-cc-pVTZ.dat index 410ae278..68e98468 100644 --- a/static/data/fluo/acetylene_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/fluo/acetylene_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Acetylene # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/acetylene_CC3(FC)_d-aug-cc-pVQZ.dat b/static/data/fluo/acetylene_CC3(FC)_d-aug-cc-pVQZ.dat index bd8058ae..f383dcfa 100644 --- a/static/data/fluo/acetylene_CC3(FC)_d-aug-cc-pVQZ.dat +++ b/static/data/fluo/acetylene_CC3(FC)_d-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Acetylene # Comment : # code : -# method : CC3(FC),d-aug-cc-pVQZ +# method : CC3,d-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/diazomethane_CC3(FC)_aug-cc-pVDZ.dat b/static/data/fluo/diazomethane_CC3(FC)_aug-cc-pVDZ.dat index a5dfbb0c..7472edbc 100644 --- a/static/data/fluo/diazomethane_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/fluo/diazomethane_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Diazomethane # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/diazomethane_CC3(FC)_aug-cc-pVQZ.dat b/static/data/fluo/diazomethane_CC3(FC)_aug-cc-pVQZ.dat index e920066d..c9205b32 100644 --- a/static/data/fluo/diazomethane_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/fluo/diazomethane_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Diazomethane # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/diazomethane_CC3(FC)_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_CC3(FC)_aug-cc-pVTZ.dat index 0b273a96..14aabf0d 100644 --- a/static/data/fluo/diazomethane_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/fluo/diazomethane_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Diazomethane # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/formaldehyde_CC3(FC)_aug-cc-pVDZ.dat b/static/data/fluo/formaldehyde_CC3(FC)_aug-cc-pVDZ.dat index 1b205a41..ee31dba6 100644 --- a/static/data/fluo/formaldehyde_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/fluo/formaldehyde_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Formaldehyde # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/formaldehyde_CC3(FC)_aug-cc-pVQZ.dat b/static/data/fluo/formaldehyde_CC3(FC)_aug-cc-pVQZ.dat index df0b72ac..63e1b7bd 100644 --- a/static/data/fluo/formaldehyde_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/fluo/formaldehyde_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Formaldehyde # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/formaldehyde_CC3(FC)_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_CC3(FC)_aug-cc-pVTZ.dat index 5340d3c2..3bb4516f 100644 --- a/static/data/fluo/formaldehyde_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/fluo/formaldehyde_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Formaldehyde # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/formaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat b/static/data/fluo/formaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat index e88df101..10870db6 100644 --- a/static/data/fluo/formaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat +++ b/static/data/fluo/formaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Formaldehyde # Comment : # code : -# method : CC3(FC),d-aug-cc-pVQZ +# method : CC3,d-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/ketene_CC3(FC)_aug-cc-pVDZ.dat b/static/data/fluo/ketene_CC3(FC)_aug-cc-pVDZ.dat index 7a9cd454..14753537 100644 --- a/static/data/fluo/ketene_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/fluo/ketene_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Ketene # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/ketene_CC3(FC)_aug-cc-pVQZ.dat b/static/data/fluo/ketene_CC3(FC)_aug-cc-pVQZ.dat index b75ddb62..4d1d8165 100644 --- a/static/data/fluo/ketene_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/fluo/ketene_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Ketene # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/ketene_CC3(FC)_aug-cc-pVTZ.dat b/static/data/fluo/ketene_CC3(FC)_aug-cc-pVTZ.dat index 83ba32a4..adb811cb 100644 --- a/static/data/fluo/ketene_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/fluo/ketene_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Ketene # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/nitrosomethane_CC3(FC)_aug-cc-pVDZ.dat b/static/data/fluo/nitrosomethane_CC3(FC)_aug-cc-pVDZ.dat index ef3e0101..0c88d746 100644 --- a/static/data/fluo/nitrosomethane_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/fluo/nitrosomethane_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Nitrosomethane # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/nitrosomethane_CC3(FC)_aug-cc-pVQZ.dat b/static/data/fluo/nitrosomethane_CC3(FC)_aug-cc-pVQZ.dat index 53ddf465..26245574 100644 --- a/static/data/fluo/nitrosomethane_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/fluo/nitrosomethane_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Nitrosomethane # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/nitrosomethane_CC3(FC)_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_CC3(FC)_aug-cc-pVTZ.dat index b168920e..26826f63 100644 --- a/static/data/fluo/nitrosomethane_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/fluo/nitrosomethane_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Nitrosomethane # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/thioformaldehyde_CC3(FC)_aug-cc-pVDZ.dat b/static/data/fluo/thioformaldehyde_CC3(FC)_aug-cc-pVDZ.dat index 5e04e84a..be601bb1 100644 --- a/static/data/fluo/thioformaldehyde_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/fluo/thioformaldehyde_CC3(FC)_aug-cc-pVDZ.dat @@ -1,7 +1,7 @@ # Molecule : Thioformaldehyde # Comment : # code : -# method : CC3(FC),aug-cc-pVDZ +# method : CC3,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/thioformaldehyde_CC3(FC)_aug-cc-pVQZ.dat b/static/data/fluo/thioformaldehyde_CC3(FC)_aug-cc-pVQZ.dat index 6772958f..8e2a880d 100644 --- a/static/data/fluo/thioformaldehyde_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/fluo/thioformaldehyde_CC3(FC)_aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Thioformaldehyde # Comment : # code : -# method : CC3(FC),aug-cc-pVQZ +# method : CC3,aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/thioformaldehyde_CC3(FC)_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_CC3(FC)_aug-cc-pVTZ.dat index 1de7bd34..d1aa093c 100644 --- a/static/data/fluo/thioformaldehyde_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/fluo/thioformaldehyde_CC3(FC)_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Thioformaldehyde # Comment : # code : -# method : CC3(FC),aug-cc-pVTZ +# method : CC3,aug-cc-pVTZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true diff --git a/static/data/fluo/thioformaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat b/static/data/fluo/thioformaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat index 2f532db3..c3468fa5 100644 --- a/static/data/fluo/thioformaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat +++ b/static/data/fluo/thioformaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat @@ -1,7 +1,7 @@ # Molecule : Thioformaldehyde # Comment : # code : -# method : CC3(FC),d-aug-cc-pVQZ +# method : CC3,d-aug-cc-pVQZ # geom : # DOI : 10.1021/acs.jctc.8b00406,true