diff --git a/static/data/abs/acetaldehyde_TBE_CBS.dat b/static/data/abs/acetaldehyde_TBE(Full)_CBS.dat similarity index 96% rename from static/data/abs/acetaldehyde_TBE_CBS.dat rename to static/data/abs/acetaldehyde_TBE(Full)_CBS.dat index 66d0ba6e..a1128e7d 100644 --- a/static/data/abs/acetaldehyde_TBE_CBS.dat +++ b/static/data/abs/acetaldehyde_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Acetaldehyde # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/acetaldehyde_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/acetaldehyde_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/acetaldehyde_TBE_aug-cc-pVTZ.dat index 215b49a1..b6961865 100644 --- a/static/data/abs/acetaldehyde_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/acetaldehyde_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Acetaldehyde # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/acetone_TBE_CBS.dat b/static/data/abs/acetone_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/acetone_TBE_CBS.dat rename to static/data/abs/acetone_TBE(Full)_CBS.dat index 72e91ec2..9afa9705 100644 --- a/static/data/abs/acetone_TBE_CBS.dat +++ b/static/data/abs/acetone_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Acetone # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/acetone_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/acetone_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/acetone_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/acetone_TBE_aug-cc-pVTZ.dat index f12217d1..6d7723fe 100644 --- a/static/data/abs/acetone_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/acetone_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Acetone # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/acetylene_TBE_CBS.dat b/static/data/abs/acetylene_TBE(Full)_CBS.dat similarity index 97% rename from static/data/abs/acetylene_TBE_CBS.dat rename to static/data/abs/acetylene_TBE(Full)_CBS.dat index 53515995..f467fc77 100644 --- a/static/data/abs/acetylene_TBE_CBS.dat +++ b/static/data/abs/acetylene_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Acetylene # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/acetylene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/acetylene_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/acetylene_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/acetylene_TBE_aug-cc-pVTZ.dat index 7e84e58a..639854f8 100644 --- a/static/data/abs/acetylene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/acetylene_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Acetylene # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/acrolein_TBE_CBS.dat b/static/data/abs/acrolein_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/acrolein_TBE_CBS.dat rename to static/data/abs/acrolein_TBE(Full)_CBS.dat index 73157809..14eebb96 100644 --- a/static/data/abs/acrolein_TBE_CBS.dat +++ b/static/data/abs/acrolein_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Acrolein # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/acrolein_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/acrolein_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/acrolein_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/acrolein_TBE_aug-cc-pVTZ.dat index d7639463..39ceb04d 100644 --- a/static/data/abs/acrolein_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/acrolein_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Acrolein # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/allyl_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/allyl_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/allyl_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/allyl_TBE_aug-cc-pVTZ.dat index 897bcd10..ddbb28bb 100644 --- a/static/data/abs/allyl_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/allyl_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Allyl # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/ammonia_TBE_CBS.dat b/static/data/abs/ammonia_TBE(Full)_CBS.dat similarity index 97% rename from static/data/abs/ammonia_TBE_CBS.dat rename to static/data/abs/ammonia_TBE(Full)_CBS.dat index 09d5099b..91853805 100644 --- a/static/data/abs/ammonia_TBE_CBS.dat +++ b/static/data/abs/ammonia_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Ammonia # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/ammonia_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/ammonia_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/ammonia_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/ammonia_TBE_aug-cc-pVTZ.dat index 75b9aaf8..f0a44fd2 100644 --- a/static/data/abs/ammonia_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/ammonia_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Ammonia # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/bef_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/bef_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/bef_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/bef_TBE_aug-cc-pVTZ.dat index 2220ccb0..2958a235 100644 --- a/static/data/abs/bef_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/bef_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{BeF} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/beh_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/beh_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/beh_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/beh_TBE_aug-cc-pVTZ.dat index 89439cec..d7889a47 100644 --- a/static/data/abs/beh_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/beh_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{BeH} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/benzene_TBE_CBS.dat b/static/data/abs/benzene_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/benzene_TBE_CBS.dat rename to static/data/abs/benzene_TBE(Full)_CBS.dat index 4c1aecf5..a5ed6cc4 100644 --- a/static/data/abs/benzene_TBE_CBS.dat +++ b/static/data/abs/benzene_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Benzene # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/benzene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/benzene_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/benzene_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/benzene_TBE_aug-cc-pVTZ.dat index 95925c56..c6697d43 100644 --- a/static/data/abs/benzene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/benzene_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Benzene # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/bh2_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/bh2_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/abs/bh2_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/bh2_TBE_aug-cc-pVTZ.dat index 88e91ebb..22c2e167 100644 --- a/static/data/abs/bh2_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/bh2_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{BH2} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/butadiene_TBE_CBS.dat b/static/data/abs/butadiene_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/butadiene_TBE_CBS.dat rename to static/data/abs/butadiene_TBE(Full)_CBS.dat index cac8bb45..817b9e60 100644 --- a/static/data/abs/butadiene_TBE_CBS.dat +++ b/static/data/abs/butadiene_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Butadiene # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/butadiene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/butadiene_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/butadiene_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/butadiene_TBE_aug-cc-pVTZ.dat index 50d5f706..88035849 100644 --- a/static/data/abs/butadiene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/butadiene_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Butadiene # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/carbon_monoxide_TBE_CBS.dat b/static/data/abs/carbon_monoxide_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/carbon_monoxide_TBE_CBS.dat rename to static/data/abs/carbon_monoxide_TBE(Full)_CBS.dat index 32a7bde1..2373981c 100644 --- a/static/data/abs/carbon_monoxide_TBE_CBS.dat +++ b/static/data/abs/carbon_monoxide_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Carbon monoxide # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/carbon_monoxide_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/carbon_monoxide_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/carbon_monoxide_TBE_aug-cc-pVTZ.dat index d6993701..e3fad1c9 100644 --- a/static/data/abs/carbon_monoxide_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/carbon_monoxide_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Carbon monoxide # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/carbonylfluoride_TBE_CBS.dat b/static/data/abs/carbonylfluoride_TBE(Full)_CBS.dat similarity index 96% rename from static/data/abs/carbonylfluoride_TBE_CBS.dat rename to static/data/abs/carbonylfluoride_TBE(Full)_CBS.dat index c53a6c39..bb0157dc 100644 --- a/static/data/abs/carbonylfluoride_TBE_CBS.dat +++ b/static/data/abs/carbonylfluoride_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Carbonylfluoride # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/carbonylfluoride_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/carbonylfluoride_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/carbonylfluoride_TBE_aug-cc-pVTZ.dat index 502e3bf9..fbbe4696 100644 --- a/static/data/abs/carbonylfluoride_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Carbonylfluoride # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/ccl2_TBE_CBS.dat b/static/data/abs/ccl2_TBE(Full)_CBS.dat similarity index 97% rename from static/data/abs/ccl2_TBE_CBS.dat rename to static/data/abs/ccl2_TBE(Full)_CBS.dat index 8c10f02b..c8ecc409 100644 --- a/static/data/abs/ccl2_TBE_CBS.dat +++ b/static/data/abs/ccl2_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : \ce{CCl2} # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/ccl2_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/ccl2_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/ccl2_TBE_aug-cc-pVTZ.dat index e101e79f..75ed891e 100644 --- a/static/data/abs/ccl2_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{CCl2} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/cclf_TBE_CBS.dat b/static/data/abs/cclf_TBE(Full)_CBS.dat similarity index 96% rename from static/data/abs/cclf_TBE_CBS.dat rename to static/data/abs/cclf_TBE(Full)_CBS.dat index bc48c14b..df2a4f6b 100644 --- a/static/data/abs/cclf_TBE_CBS.dat +++ b/static/data/abs/cclf_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : \ce{CClF} # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/cclf_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/cclf_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/abs/cclf_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/cclf_TBE_aug-cc-pVTZ.dat index dc6d3fe7..a6dcfcf6 100644 --- a/static/data/abs/cclf_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{CClF} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/cf2_TBE_CBS.dat b/static/data/abs/cf2_TBE(Full)_CBS.dat similarity index 96% rename from static/data/abs/cf2_TBE_CBS.dat rename to static/data/abs/cf2_TBE(Full)_CBS.dat index 885e825e..8ca7c9f6 100644 --- a/static/data/abs/cf2_TBE_CBS.dat +++ b/static/data/abs/cf2_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : \ce{CF2} # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/cf2_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/cf2_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/cf2_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/cf2_TBE_aug-cc-pVTZ.dat index 31bf0f3b..f0936a75 100644 --- a/static/data/abs/cf2_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{CF2} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/ch3_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/ch3_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/ch3_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/ch3_TBE_aug-cc-pVTZ.dat index 03cd2c31..4d02f590 100644 --- a/static/data/abs/ch3_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/ch3_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{CH3} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/ch_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/ch_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/ch_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/ch_TBE_aug-cc-pVTZ.dat index c1a2e5f8..d7fe921f 100644 --- a/static/data/abs/ch_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/ch_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{CH} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/cn_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/cn_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/cn_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/cn_TBE_aug-cc-pVTZ.dat index c130e8ed..f1a78a93 100644 --- a/static/data/abs/cn_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cn_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{CN} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/cno_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/cno_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/cno_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/cno_TBE_aug-cc-pVTZ.dat index df3eb2d3..57e22eb6 100644 --- a/static/data/abs/cno_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cno_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{CNO} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/co+_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/co+_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/co+_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/co+_TBE_aug-cc-pVTZ.dat index 46d010d1..c6ab1cbd 100644 --- a/static/data/abs/co+_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/co+_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{CO+} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/cyanoacetylene_TBE_CBS.dat b/static/data/abs/cyanoacetylene_TBE(Full)_CBS.dat similarity index 97% rename from static/data/abs/cyanoacetylene_TBE_CBS.dat rename to static/data/abs/cyanoacetylene_TBE(Full)_CBS.dat index 25e82310..915ea40c 100644 --- a/static/data/abs/cyanoacetylene_TBE_CBS.dat +++ b/static/data/abs/cyanoacetylene_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Cyanoacetylene # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyanoacetylene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/cyanoacetylene_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/cyanoacetylene_TBE_aug-cc-pVTZ.dat index 56dc7aea..149d6c7d 100644 --- a/static/data/abs/cyanoacetylene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cyanoacetylene_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Cyanoacetylene # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyanoformaldehyde_TBE_CBS.dat b/static/data/abs/cyanoformaldehyde_TBE(Full)_CBS.dat similarity index 97% rename from static/data/abs/cyanoformaldehyde_TBE_CBS.dat rename to static/data/abs/cyanoformaldehyde_TBE(Full)_CBS.dat index b9616fa6..ce089a90 100644 --- a/static/data/abs/cyanoformaldehyde_TBE_CBS.dat +++ b/static/data/abs/cyanoformaldehyde_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Cyanoformaldehyde # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyanoformaldehyde_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/cyanoformaldehyde_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/cyanoformaldehyde_TBE_aug-cc-pVTZ.dat index a514e03c..14cad1bf 100644 --- a/static/data/abs/cyanoformaldehyde_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cyanoformaldehyde_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Cyanoformaldehyde # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyanogen_TBE_CBS.dat b/static/data/abs/cyanogen_TBE(Full)_CBS.dat similarity index 97% rename from static/data/abs/cyanogen_TBE_CBS.dat rename to static/data/abs/cyanogen_TBE(Full)_CBS.dat index b18c6453..989b5b76 100644 --- a/static/data/abs/cyanogen_TBE_CBS.dat +++ b/static/data/abs/cyanogen_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Cyanogen # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyanogen_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/cyanogen_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/cyanogen_TBE_aug-cc-pVTZ.dat index ca0e990c..c916ed53 100644 --- a/static/data/abs/cyanogen_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cyanogen_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Cyanogen # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyclopentadiene_TBE_CBS.dat b/static/data/abs/cyclopentadiene_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/cyclopentadiene_TBE_CBS.dat rename to static/data/abs/cyclopentadiene_TBE(Full)_CBS.dat index d778b3cc..69198603 100644 --- a/static/data/abs/cyclopentadiene_TBE_CBS.dat +++ b/static/data/abs/cyclopentadiene_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Cyclopentadiene # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyclopentadiene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/cyclopentadiene_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/cyclopentadiene_TBE_aug-cc-pVTZ.dat index e7f2e141..8d1d8420 100644 --- a/static/data/abs/cyclopentadiene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cyclopentadiene_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Cyclopentadiene # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyclopropene_TBE_CBS.dat b/static/data/abs/cyclopropene_TBE(Full)_CBS.dat similarity index 97% rename from static/data/abs/cyclopropene_TBE_CBS.dat rename to static/data/abs/cyclopropene_TBE(Full)_CBS.dat index 2b29e980..58d21585 100644 --- a/static/data/abs/cyclopropene_TBE_CBS.dat +++ b/static/data/abs/cyclopropene_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Cyclopropene # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/cyclopropene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/cyclopropene_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/cyclopropene_TBE_aug-cc-pVTZ.dat index ef558a8e..7bd44eeb 100644 --- a/static/data/abs/cyclopropene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cyclopropene_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Cyclopropene # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/cyclopropenethione_TBE_CBS.dat b/static/data/abs/cyclopropenethione_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/cyclopropenethione_TBE_CBS.dat rename to static/data/abs/cyclopropenethione_TBE(Full)_CBS.dat index 0fc630a7..7914d895 100644 --- a/static/data/abs/cyclopropenethione_TBE_CBS.dat +++ b/static/data/abs/cyclopropenethione_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Cyclopropenethione # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyclopropenethione_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/cyclopropenethione_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/cyclopropenethione_TBE_aug-cc-pVTZ.dat index c3d9c52f..ca627cb4 100644 --- a/static/data/abs/cyclopropenethione_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cyclopropenethione_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Cyclopropenethione # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyclopropenone_TBE_CBS.dat b/static/data/abs/cyclopropenone_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/cyclopropenone_TBE_CBS.dat rename to static/data/abs/cyclopropenone_TBE(Full)_CBS.dat index 8e83b80c..8a103b4e 100644 --- a/static/data/abs/cyclopropenone_TBE_CBS.dat +++ b/static/data/abs/cyclopropenone_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Cyclopropenone # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyclopropenone_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/cyclopropenone_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/cyclopropenone_TBE_aug-cc-pVTZ.dat index 1725bc27..db961f88 100644 --- a/static/data/abs/cyclopropenone_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cyclopropenone_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Cyclopropenone # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/diacetylene_TBE_CBS.dat b/static/data/abs/diacetylene_TBE(Full)_CBS.dat similarity index 97% rename from static/data/abs/diacetylene_TBE_CBS.dat rename to static/data/abs/diacetylene_TBE(Full)_CBS.dat index ca36b9eb..57be4768 100644 --- a/static/data/abs/diacetylene_TBE_CBS.dat +++ b/static/data/abs/diacetylene_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Diacetylene # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/diacetylene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/diacetylene_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/diacetylene_TBE_aug-cc-pVTZ.dat index 14f5494c..1db6adbd 100644 --- a/static/data/abs/diacetylene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/diacetylene_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Diacetylene # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/diazomethane_TBE_CBS.dat b/static/data/abs/diazomethane_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/diazomethane_TBE_CBS.dat rename to static/data/abs/diazomethane_TBE(Full)_CBS.dat index d5c3cb48..c7c35418 100644 --- a/static/data/abs/diazomethane_TBE_CBS.dat +++ b/static/data/abs/diazomethane_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Diazomethane # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/diazomethane_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/diazomethane_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/diazomethane_TBE_aug-cc-pVTZ.dat index fc20b00d..73ad41e5 100644 --- a/static/data/abs/diazomethane_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/diazomethane_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Diazomethane # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/difluorodiazirine_TBE_CBS.dat b/static/data/abs/difluorodiazirine_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/difluorodiazirine_TBE_CBS.dat rename to static/data/abs/difluorodiazirine_TBE(Full)_CBS.dat index 1f39e5b2..c53c111e 100644 --- a/static/data/abs/difluorodiazirine_TBE_CBS.dat +++ b/static/data/abs/difluorodiazirine_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Difluorodiazirine # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/difluorodiazirine_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/difluorodiazirine_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/difluorodiazirine_TBE_aug-cc-pVTZ.dat index 9586842c..5292d88d 100644 --- a/static/data/abs/difluorodiazirine_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Difluorodiazirine # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/dinitrogen_TBE_CBS.dat b/static/data/abs/dinitrogen_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/dinitrogen_TBE_CBS.dat rename to static/data/abs/dinitrogen_TBE(Full)_CBS.dat index ceada054..3879ccfa 100644 --- a/static/data/abs/dinitrogen_TBE_CBS.dat +++ b/static/data/abs/dinitrogen_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Dinitrogen # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/dinitrogen_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/dinitrogen_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/dinitrogen_TBE_aug-cc-pVTZ.dat index 984fcb51..a65f66dd 100644 --- a/static/data/abs/dinitrogen_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/dinitrogen_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Dinitrogen # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/ethylene_TBE_CBS.dat b/static/data/abs/ethylene_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/ethylene_TBE_CBS.dat rename to static/data/abs/ethylene_TBE(Full)_CBS.dat index 88e31c00..17c127ef 100644 --- a/static/data/abs/ethylene_TBE_CBS.dat +++ b/static/data/abs/ethylene_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Ethylene # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/ethylene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/ethylene_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/ethylene_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/ethylene_TBE_aug-cc-pVTZ.dat index e2a82855..c7628e4a 100644 --- a/static/data/abs/ethylene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/ethylene_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Ethylene # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/f2bo_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/f2bo_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/f2bo_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/f2bo_TBE_aug-cc-pVTZ.dat index 5e7b6e25..b4ead34d 100644 --- a/static/data/abs/f2bo_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/f2bo_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{F2BO} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/f2bs_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/f2bs_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/f2bs_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/f2bs_TBE_aug-cc-pVTZ.dat index aba9260f..20fdf0c1 100644 --- a/static/data/abs/f2bs_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/f2bs_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{F2BS} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/formaldehyde_TBE_CBS.dat b/static/data/abs/formaldehyde_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/formaldehyde_TBE_CBS.dat rename to static/data/abs/formaldehyde_TBE(Full)_CBS.dat index 394a7e40..b6a03625 100644 --- a/static/data/abs/formaldehyde_TBE_CBS.dat +++ b/static/data/abs/formaldehyde_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Formaldehyde # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/formaldehyde_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/formaldehyde_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/formaldehyde_TBE_aug-cc-pVTZ.dat index 907f8d0e..84194f6d 100644 --- a/static/data/abs/formaldehyde_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/formaldehyde_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Formaldehyde # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/formamide_TBE_CBS.dat b/static/data/abs/formamide_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/formamide_TBE_CBS.dat rename to static/data/abs/formamide_TBE(Full)_CBS.dat index 5f5a7cdb..26965ebc 100644 --- a/static/data/abs/formamide_TBE_CBS.dat +++ b/static/data/abs/formamide_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Formamide # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/formamide_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/formamide_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/formamide_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/formamide_TBE_aug-cc-pVTZ.dat index e037e438..1635c790 100644 --- a/static/data/abs/formamide_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/formamide_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Formamide # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/formylfluoride_TBE_CBS.dat b/static/data/abs/formylfluoride_TBE(Full)_CBS.dat similarity index 96% rename from static/data/abs/formylfluoride_TBE_CBS.dat rename to static/data/abs/formylfluoride_TBE(Full)_CBS.dat index 94337f1b..a6e8deb6 100644 --- a/static/data/abs/formylfluoride_TBE_CBS.dat +++ b/static/data/abs/formylfluoride_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Formylfluoride # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/formylfluoride_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/formylfluoride_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/formylfluoride_TBE_aug-cc-pVTZ.dat index dedb2219..4ab17285 100644 --- a/static/data/abs/formylfluoride_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Formylfluoride # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/furan_TBE_CBS.dat b/static/data/abs/furan_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/furan_TBE_CBS.dat rename to static/data/abs/furan_TBE(Full)_CBS.dat index b26b5706..cc083dee 100644 --- a/static/data/abs/furan_TBE_CBS.dat +++ b/static/data/abs/furan_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Furan # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/furan_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/furan_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/furan_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/furan_TBE_aug-cc-pVTZ.dat index 4334f178..337f0c1c 100644 --- a/static/data/abs/furan_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/furan_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Furan # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/glyoxal_TBE_CBS.dat b/static/data/abs/glyoxal_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/glyoxal_TBE_CBS.dat rename to static/data/abs/glyoxal_TBE(Full)_CBS.dat index 1f9a901b..120d01f4 100644 --- a/static/data/abs/glyoxal_TBE_CBS.dat +++ b/static/data/abs/glyoxal_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Glyoxal # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/glyoxal_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/glyoxal_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/glyoxal_TBE_aug-cc-pVTZ.dat index fefa7861..21cc6ca4 100644 --- a/static/data/abs/glyoxal_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/glyoxal_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Glyoxal # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/h2bo_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/h2bo_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/h2bo_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/h2bo_TBE_aug-cc-pVTZ.dat index f9d177ab..68faf96d 100644 --- a/static/data/abs/h2bo_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/h2bo_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{H2BO} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/h2po_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/h2po_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/h2po_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/h2po_TBE_aug-cc-pVTZ.dat index 6f775bc5..65281d2d 100644 --- a/static/data/abs/h2po_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/h2po_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{H2PO} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/h2ps_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/h2ps_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/h2ps_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/h2ps_TBE_aug-cc-pVTZ.dat index 1f9ef0e5..d426a8ff 100644 --- a/static/data/abs/h2ps_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/h2ps_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{H2PS} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/hccl_TBE_CBS.dat b/static/data/abs/hccl_TBE(Full)_CBS.dat similarity index 96% rename from static/data/abs/hccl_TBE_CBS.dat rename to static/data/abs/hccl_TBE(Full)_CBS.dat index 59f43581..3e67b61f 100644 --- a/static/data/abs/hccl_TBE_CBS.dat +++ b/static/data/abs/hccl_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : \ce{HCCl} # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/hccl_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hccl_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/abs/hccl_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/hccl_TBE_aug-cc-pVTZ.dat index 65d7d566..88d09c24 100644 --- a/static/data/abs/hccl_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{HCCl} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/hcf_TBE_CBS.dat b/static/data/abs/hcf_TBE(Full)_CBS.dat similarity index 96% rename from static/data/abs/hcf_TBE_CBS.dat rename to static/data/abs/hcf_TBE(Full)_CBS.dat index 21563991..7b681dcf 100644 --- a/static/data/abs/hcf_TBE_CBS.dat +++ b/static/data/abs/hcf_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : \ce{HCF} # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/hcf_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hcf_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/abs/hcf_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/hcf_TBE_aug-cc-pVTZ.dat index 05270cff..ac0ee0dc 100644 --- a/static/data/abs/hcf_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{HCF} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/hco_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hco_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/hco_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/hco_TBE_aug-cc-pVTZ.dat index 46ff5d1d..3e8747e3 100644 --- a/static/data/abs/hco_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hco_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{HCO} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/hcp_TBE_CBS.dat b/static/data/abs/hcp_TBE(Full)_CBS.dat similarity index 97% rename from static/data/abs/hcp_TBE_CBS.dat rename to static/data/abs/hcp_TBE(Full)_CBS.dat index f13b81d3..e384058a 100644 --- a/static/data/abs/hcp_TBE_CBS.dat +++ b/static/data/abs/hcp_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : \ce{HCP} # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/hcp_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hcp_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/hcp_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/hcp_TBE_aug-cc-pVTZ.dat index 0fa88264..c00d8cea 100644 --- a/static/data/abs/hcp_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{HCP} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/hoc_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hoc_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/abs/hoc_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/hoc_TBE_aug-cc-pVTZ.dat index bc05d71a..18989877 100644 --- a/static/data/abs/hoc_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hoc_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{HOC} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/hpo_TBE_CBS.dat b/static/data/abs/hpo_TBE(Full)_CBS.dat similarity index 96% rename from static/data/abs/hpo_TBE_CBS.dat rename to static/data/abs/hpo_TBE(Full)_CBS.dat index 885d38fc..957c99c1 100644 --- a/static/data/abs/hpo_TBE_CBS.dat +++ b/static/data/abs/hpo_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : \ce{HPO} # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/hpo_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hpo_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/abs/hpo_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/hpo_TBE_aug-cc-pVTZ.dat index 82c39dd7..c5bd10de 100644 --- a/static/data/abs/hpo_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{HPO} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/hps_TBE_CBS.dat b/static/data/abs/hps_TBE(Full)_CBS.dat similarity index 96% rename from static/data/abs/hps_TBE_CBS.dat rename to static/data/abs/hps_TBE(Full)_CBS.dat index a14d6a93..b2c07ae1 100644 --- a/static/data/abs/hps_TBE_CBS.dat +++ b/static/data/abs/hps_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : \ce{HPS} # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/hps_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hps_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/abs/hps_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/hps_TBE_aug-cc-pVTZ.dat index b3092e8e..3ae74806 100644 --- a/static/data/abs/hps_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{HPS} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/hsif_TBE_CBS.dat b/static/data/abs/hsif_TBE(Full)_CBS.dat similarity index 96% rename from static/data/abs/hsif_TBE_CBS.dat rename to static/data/abs/hsif_TBE(Full)_CBS.dat index 0b223c24..a10a892e 100644 --- a/static/data/abs/hsif_TBE_CBS.dat +++ b/static/data/abs/hsif_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : \ce{HSiF} # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/hsif_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hsif_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/abs/hsif_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/hsif_TBE_aug-cc-pVTZ.dat index 207e1bb6..2ae89a58 100644 --- a/static/data/abs/hsif_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{HSiF} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/hydrogen_chloride_TBE_CBS.dat b/static/data/abs/hydrogen_chloride_TBE(Full)_CBS.dat similarity index 96% rename from static/data/abs/hydrogen_chloride_TBE_CBS.dat rename to static/data/abs/hydrogen_chloride_TBE(Full)_CBS.dat index 2203a6cf..ef43c98c 100644 --- a/static/data/abs/hydrogen_chloride_TBE_CBS.dat +++ b/static/data/abs/hydrogen_chloride_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Hydrogen chloride # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/hydrogen_chloride_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/abs/hydrogen_chloride_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/hydrogen_chloride_TBE_aug-cc-pVTZ.dat index 8d957853..d576a035 100644 --- a/static/data/abs/hydrogen_chloride_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hydrogen_chloride_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Hydrogen chloride # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/hydrogen_sulfide_TBE_CBS.dat b/static/data/abs/hydrogen_sulfide_TBE(Full)_CBS.dat similarity index 97% rename from static/data/abs/hydrogen_sulfide_TBE_CBS.dat rename to static/data/abs/hydrogen_sulfide_TBE(Full)_CBS.dat index 12acd04a..f9c2c665 100644 --- a/static/data/abs/hydrogen_sulfide_TBE_CBS.dat +++ b/static/data/abs/hydrogen_sulfide_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Hydrogen sulfide # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/hydrogen_sulfide_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/hydrogen_sulfide_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/hydrogen_sulfide_TBE_aug-cc-pVTZ.dat index ca5152e3..c1eeb2f4 100644 --- a/static/data/abs/hydrogen_sulfide_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hydrogen_sulfide_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Hydrogen sulfide # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/imidazole_TBE_CBS.dat b/static/data/abs/imidazole_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/imidazole_TBE_CBS.dat rename to static/data/abs/imidazole_TBE(Full)_CBS.dat index ff3dcafb..2ef5f007 100644 --- a/static/data/abs/imidazole_TBE_CBS.dat +++ b/static/data/abs/imidazole_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Imidazole # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/imidazole_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/imidazole_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/imidazole_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/imidazole_TBE_aug-cc-pVTZ.dat index 68096725..df2dc667 100644 --- a/static/data/abs/imidazole_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/imidazole_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Imidazole # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/isobutene_TBE_CBS.dat b/static/data/abs/isobutene_TBE(Full)_CBS.dat similarity index 97% rename from static/data/abs/isobutene_TBE_CBS.dat rename to static/data/abs/isobutene_TBE(Full)_CBS.dat index cbbb96ab..37f6cb28 100644 --- a/static/data/abs/isobutene_TBE_CBS.dat +++ b/static/data/abs/isobutene_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Isobutene # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/isobutene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/isobutene_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/isobutene_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/isobutene_TBE_aug-cc-pVTZ.dat index 35d0b5c1..d8b18060 100644 --- a/static/data/abs/isobutene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/isobutene_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Isobutene # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/ketene_TBE_CBS.dat b/static/data/abs/ketene_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/ketene_TBE_CBS.dat rename to static/data/abs/ketene_TBE(Full)_CBS.dat index 09c28837..aa9d4618 100644 --- a/static/data/abs/ketene_TBE_CBS.dat +++ b/static/data/abs/ketene_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Ketene # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/ketene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/ketene_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/ketene_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/ketene_TBE_aug-cc-pVTZ.dat index ebb00618..59686af4 100644 --- a/static/data/abs/ketene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/ketene_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Ketene # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/methanimine_TBE_CBS.dat b/static/data/abs/methanimine_TBE(Full)_CBS.dat similarity index 96% rename from static/data/abs/methanimine_TBE_CBS.dat rename to static/data/abs/methanimine_TBE(Full)_CBS.dat index e3aa3714..19eb82bc 100644 --- a/static/data/abs/methanimine_TBE_CBS.dat +++ b/static/data/abs/methanimine_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Methanimine # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/methanimine_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/methanimine_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/methanimine_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/methanimine_TBE_aug-cc-pVTZ.dat index 4f01c55a..bd93a14a 100644 --- a/static/data/abs/methanimine_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/methanimine_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Methanimine # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/methylenecyclopropene_TBE_CBS.dat b/static/data/abs/methylenecyclopropene_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/methylenecyclopropene_TBE_CBS.dat rename to static/data/abs/methylenecyclopropene_TBE(Full)_CBS.dat index cbec3668..cae9dbaa 100644 --- a/static/data/abs/methylenecyclopropene_TBE_CBS.dat +++ b/static/data/abs/methylenecyclopropene_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Methylenecyclopropene # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/methylenecyclopropene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/methylenecyclopropene_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/methylenecyclopropene_TBE_aug-cc-pVTZ.dat index f8791e8e..c023531c 100644 --- a/static/data/abs/methylenecyclopropene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/methylenecyclopropene_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Methylenecyclopropene # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/nco_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/nco_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/nco_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/nco_TBE_aug-cc-pVTZ.dat index e5f26941..90279c35 100644 --- a/static/data/abs/nco_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/nco_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{NCO} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/nh2_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/nh2_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/abs/nh2_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/nh2_TBE_aug-cc-pVTZ.dat index fd63a60f..1be1b74d 100644 --- a/static/data/abs/nh2_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/nh2_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{NH2} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/nitromethyl_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/nitromethyl_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/nitromethyl_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/nitromethyl_TBE_aug-cc-pVTZ.dat index c8bb7968..942f1053 100644 --- a/static/data/abs/nitromethyl_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/nitromethyl_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Nitromethyl # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/nitrosomethane_TBE_CBS.dat b/static/data/abs/nitrosomethane_TBE(Full)_CBS.dat similarity index 97% rename from static/data/abs/nitrosomethane_TBE_CBS.dat rename to static/data/abs/nitrosomethane_TBE(Full)_CBS.dat index 37e35918..f33a10ec 100644 --- a/static/data/abs/nitrosomethane_TBE_CBS.dat +++ b/static/data/abs/nitrosomethane_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Nitrosomethane # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/nitrosomethane_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/nitrosomethane_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/nitrosomethane_TBE_aug-cc-pVTZ.dat index 9c0d462c..4ccfc34f 100644 --- a/static/data/abs/nitrosomethane_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/nitrosomethane_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Nitrosomethane # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/no_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/no_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/no_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/no_TBE_aug-cc-pVTZ.dat index a362ce2e..c8cecd8d 100644 --- a/static/data/abs/no_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/no_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{NO} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/oh_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/oh_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/oh_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/oh_TBE_aug-cc-pVTZ.dat index 12017820..f45c30c5 100644 --- a/static/data/abs/oh_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/oh_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{OH} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/ph2_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/ph2_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/abs/ph2_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/ph2_TBE_aug-cc-pVTZ.dat index 95af3515..c2f991fb 100644 --- a/static/data/abs/ph2_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/ph2_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{PH2} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/propynal_TBE_CBS.dat b/static/data/abs/propynal_TBE(Full)_CBS.dat similarity index 97% rename from static/data/abs/propynal_TBE_CBS.dat rename to static/data/abs/propynal_TBE(Full)_CBS.dat index 52496f20..a3fd8901 100644 --- a/static/data/abs/propynal_TBE_CBS.dat +++ b/static/data/abs/propynal_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Propynal # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/propynal_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/propynal_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/propynal_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/propynal_TBE_aug-cc-pVTZ.dat index 10da7e3f..e41e58e8 100644 --- a/static/data/abs/propynal_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/propynal_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Propynal # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyrazine_TBE_CBS.dat b/static/data/abs/pyrazine_TBE(Full)_CBS.dat similarity index 99% rename from static/data/abs/pyrazine_TBE_CBS.dat rename to static/data/abs/pyrazine_TBE(Full)_CBS.dat index 30dc8456..14165747 100644 --- a/static/data/abs/pyrazine_TBE_CBS.dat +++ b/static/data/abs/pyrazine_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Pyrazine # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyrazine_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/pyrazine_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/pyrazine_TBE_aug-cc-pVTZ.dat index d1eee1f6..11321d26 100644 --- a/static/data/abs/pyrazine_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/pyrazine_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Pyrazine # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyridazine_TBE_CBS.dat b/static/data/abs/pyridazine_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/pyridazine_TBE_CBS.dat rename to static/data/abs/pyridazine_TBE(Full)_CBS.dat index e683c0ee..e7340430 100644 --- a/static/data/abs/pyridazine_TBE_CBS.dat +++ b/static/data/abs/pyridazine_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Pyridazine # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyridazine_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/pyridazine_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/pyridazine_TBE_aug-cc-pVTZ.dat index ae006682..bf1a2f1a 100644 --- a/static/data/abs/pyridazine_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/pyridazine_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Pyridazine # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyridine_TBE_CBS.dat b/static/data/abs/pyridine_TBE(Full)_CBS.dat similarity index 99% rename from static/data/abs/pyridine_TBE_CBS.dat rename to static/data/abs/pyridine_TBE(Full)_CBS.dat index 19daa361..69c95598 100644 --- a/static/data/abs/pyridine_TBE_CBS.dat +++ b/static/data/abs/pyridine_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Pyridine # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyridine_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/pyridine_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/pyridine_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/pyridine_TBE_aug-cc-pVTZ.dat index 14869cf2..bc2627d0 100644 --- a/static/data/abs/pyridine_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/pyridine_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Pyridine # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyrimidine_TBE_CBS.dat b/static/data/abs/pyrimidine_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/pyrimidine_TBE_CBS.dat rename to static/data/abs/pyrimidine_TBE(Full)_CBS.dat index b5cfcc13..0a29bccc 100644 --- a/static/data/abs/pyrimidine_TBE_CBS.dat +++ b/static/data/abs/pyrimidine_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Pyrimidine # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyrimidine_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/pyrimidine_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/pyrimidine_TBE_aug-cc-pVTZ.dat index dcf425d8..280f5ac8 100644 --- a/static/data/abs/pyrimidine_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/pyrimidine_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Pyrimidine # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyrrole_TBE_CBS.dat b/static/data/abs/pyrrole_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/pyrrole_TBE_CBS.dat rename to static/data/abs/pyrrole_TBE(Full)_CBS.dat index 37efe4cf..5a384755 100644 --- a/static/data/abs/pyrrole_TBE_CBS.dat +++ b/static/data/abs/pyrrole_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Pyrrole # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyrrole_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/pyrrole_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/pyrrole_TBE_aug-cc-pVTZ.dat index 054a5123..aad8497e 100644 --- a/static/data/abs/pyrrole_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/pyrrole_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Pyrrole # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/sicl2_TBE_CBS.dat b/static/data/abs/sicl2_TBE(Full)_CBS.dat similarity index 96% rename from static/data/abs/sicl2_TBE_CBS.dat rename to static/data/abs/sicl2_TBE(Full)_CBS.dat index 1ad33a17..84d9fd68 100644 --- a/static/data/abs/sicl2_TBE_CBS.dat +++ b/static/data/abs/sicl2_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : \ce{SiCl2} # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/sicl2_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/sicl2_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/sicl2_TBE_aug-cc-pVTZ.dat index 094a8c13..c9203031 100644 --- a/static/data/abs/sicl2_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : \ce{SiCl2} # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/silylidene_TBE_CBS.dat b/static/data/abs/silylidene_TBE(Full)_CBS.dat similarity index 96% rename from static/data/abs/silylidene_TBE_CBS.dat rename to static/data/abs/silylidene_TBE(Full)_CBS.dat index 92dd4d67..52b32d0c 100644 --- a/static/data/abs/silylidene_TBE_CBS.dat +++ b/static/data/abs/silylidene_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Silylidene # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/silylidene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/silylidene_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/silylidene_TBE_aug-cc-pVTZ.dat index 51b0b82f..e63aef72 100644 --- a/static/data/abs/silylidene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Silylidene # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/streptocyanine-c1_TBE_CBS.dat b/static/data/abs/streptocyanine-c1_TBE(Full)_CBS.dat similarity index 96% rename from static/data/abs/streptocyanine-c1_TBE_CBS.dat rename to static/data/abs/streptocyanine-c1_TBE(Full)_CBS.dat index 039ce3ad..753d259a 100644 --- a/static/data/abs/streptocyanine-c1_TBE_CBS.dat +++ b/static/data/abs/streptocyanine-c1_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Streptocyanine-C1 # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/streptocyanine-c1_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/streptocyanine-c1_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/streptocyanine-c1_TBE_aug-cc-pVTZ.dat index d8ad0b63..e1889df9 100644 --- a/static/data/abs/streptocyanine-c1_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/streptocyanine-c1_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Streptocyanine-C1 # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/tetrazine_TBE_CBS.dat b/static/data/abs/tetrazine_TBE(Full)_CBS.dat similarity index 99% rename from static/data/abs/tetrazine_TBE_CBS.dat rename to static/data/abs/tetrazine_TBE(Full)_CBS.dat index 36252179..30bd701c 100644 --- a/static/data/abs/tetrazine_TBE_CBS.dat +++ b/static/data/abs/tetrazine_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Tetrazine # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/tetrazine_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_TBE_aug-cc-pVTZ.dat similarity index 99% rename from static/data/abs/tetrazine_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/tetrazine_TBE_aug-cc-pVTZ.dat index a0eb928f..5ffa971f 100644 --- a/static/data/abs/tetrazine_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/tetrazine_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Tetrazine # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/thioacetone_TBE_CBS.dat b/static/data/abs/thioacetone_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/thioacetone_TBE_CBS.dat rename to static/data/abs/thioacetone_TBE(Full)_CBS.dat index d1e07199..067a473c 100644 --- a/static/data/abs/thioacetone_TBE_CBS.dat +++ b/static/data/abs/thioacetone_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Thioacetone # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/thioacetone_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/thioacetone_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/thioacetone_TBE_aug-cc-pVTZ.dat index b85c58cf..7cda10a4 100644 --- a/static/data/abs/thioacetone_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/thioacetone_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Thioacetone # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/thioformaldehyde_TBE_CBS.dat b/static/data/abs/thioformaldehyde_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/thioformaldehyde_TBE_CBS.dat rename to static/data/abs/thioformaldehyde_TBE(Full)_CBS.dat index 1bdc05fa..22e37ee1 100644 --- a/static/data/abs/thioformaldehyde_TBE_CBS.dat +++ b/static/data/abs/thioformaldehyde_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Thioformaldehyde # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/thioformaldehyde_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/thioformaldehyde_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/thioformaldehyde_TBE_aug-cc-pVTZ.dat index 0f6a5ef1..f4862f2d 100644 --- a/static/data/abs/thioformaldehyde_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/thioformaldehyde_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Thioformaldehyde # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/thiophene_TBE_CBS.dat b/static/data/abs/thiophene_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/thiophene_TBE_CBS.dat rename to static/data/abs/thiophene_TBE(Full)_CBS.dat index 5c67e344..7f4fd094 100644 --- a/static/data/abs/thiophene_TBE_CBS.dat +++ b/static/data/abs/thiophene_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Thiophene # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/thiophene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/thiophene_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/thiophene_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/thiophene_TBE_aug-cc-pVTZ.dat index aae71840..6e51c6f9 100644 --- a/static/data/abs/thiophene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/thiophene_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Thiophene # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/thiopropynal_TBE_CBS.dat b/static/data/abs/thiopropynal_TBE(Full)_CBS.dat similarity index 96% rename from static/data/abs/thiopropynal_TBE_CBS.dat rename to static/data/abs/thiopropynal_TBE(Full)_CBS.dat index fa499258..12e0bdc8 100644 --- a/static/data/abs/thiopropynal_TBE_CBS.dat +++ b/static/data/abs/thiopropynal_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Thiopropynal # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/thiopropynal_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/thiopropynal_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/thiopropynal_TBE_aug-cc-pVTZ.dat index d94930de..958e27dc 100644 --- a/static/data/abs/thiopropynal_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/thiopropynal_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Thiopropynal # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/triazine_TBE_CBS.dat b/static/data/abs/triazine_TBE(Full)_CBS.dat similarity index 98% rename from static/data/abs/triazine_TBE_CBS.dat rename to static/data/abs/triazine_TBE(Full)_CBS.dat index 4b87ea4d..a4193091 100644 --- a/static/data/abs/triazine_TBE_CBS.dat +++ b/static/data/abs/triazine_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Triazine # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-CC-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/triazine_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/triazine_TBE_aug-cc-pVTZ.dat similarity index 98% rename from static/data/abs/triazine_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/triazine_TBE_aug-cc-pVTZ.dat index 1b370961..58f7850c 100644 --- a/static/data/abs/triazine_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/triazine_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Triazine # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-CC-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/vinyl_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/vinyl_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/abs/vinyl_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/vinyl_TBE_aug-cc-pVTZ.dat index f600f694..03231b36 100644 --- a/static/data/abs/vinyl_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/vinyl_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Vinyl # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.0c00227 diff --git a/static/data/abs/water_TBE_CBS.dat b/static/data/abs/water_TBE(Full)_CBS.dat similarity index 100% rename from static/data/abs/water_TBE_CBS.dat rename to static/data/abs/water_TBE(Full)_CBS.dat diff --git a/static/data/abs/water_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/water_TBE_aug-cc-pVTZ.dat similarity index 97% rename from static/data/abs/water_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/abs/water_TBE_aug-cc-pVTZ.dat index 8767fba0..73ce348a 100644 --- a/static/data/abs/water_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/water_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Water # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/fluo/acetylene_TBE_CBS.dat b/static/data/fluo/acetylene_TBE(Full)_CBS.dat similarity index 96% rename from static/data/fluo/acetylene_TBE_CBS.dat rename to static/data/fluo/acetylene_TBE(Full)_CBS.dat index b3418646..3d208861 100644 --- a/static/data/fluo/acetylene_TBE_CBS.dat +++ b/static/data/fluo/acetylene_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Acetylene # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/fluo/acetylene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_TBE_aug-cc-pVTZ.dat similarity index 96% rename from static/data/fluo/acetylene_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/fluo/acetylene_TBE_aug-cc-pVTZ.dat index 647fd958..15f762f6 100644 --- a/static/data/fluo/acetylene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/fluo/acetylene_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Acetylene # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/fluo/cyanoacetylene_TBE.dat b/static/data/fluo/cyanoacetylene_TBE.dat index 599b2821..004e1c0c 100644 --- a/static/data/fluo/cyanoacetylene_TBE.dat +++ b/static/data/fluo/cyanoacetylene_TBE.dat @@ -1,7 +1,7 @@ # Molecule : Cyanoacetylene # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/fluo/cyanoacetylene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/fluo/cyanoacetylene_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/fluo/cyanoacetylene_TBE_aug-cc-pVTZ.dat index cfff5f06..91f80e55 100644 --- a/static/data/fluo/cyanoacetylene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/fluo/cyanoacetylene_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Cyanoacetylene # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/fluo/cyanogen_TBE.dat b/static/data/fluo/cyanogen_TBE.dat index bf1b9649..8910b567 100644 --- a/static/data/fluo/cyanogen_TBE.dat +++ b/static/data/fluo/cyanogen_TBE.dat @@ -1,7 +1,7 @@ # Molecule : Cyanogen # Comment : # code : -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/fluo/cyanogen_TBE(FC)_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/fluo/cyanogen_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/fluo/cyanogen_TBE_aug-cc-pVTZ.dat index 8539b5d7..006aa887 100644 --- a/static/data/fluo/cyanogen_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/fluo/cyanogen_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Cyanogen # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/fluo/diazomethane_TBE_CBS.dat b/static/data/fluo/diazomethane_TBE(Full)_CBS.dat similarity index 96% rename from static/data/fluo/diazomethane_TBE_CBS.dat rename to static/data/fluo/diazomethane_TBE(Full)_CBS.dat index 375b6bc4..f6186e84 100644 --- a/static/data/fluo/diazomethane_TBE_CBS.dat +++ b/static/data/fluo/diazomethane_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Diazomethane # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/fluo/diazomethane_TBE(FC)_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/fluo/diazomethane_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/fluo/diazomethane_TBE_aug-cc-pVTZ.dat index 3189b1af..6f445f96 100644 --- a/static/data/fluo/diazomethane_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/fluo/diazomethane_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Diazomethane # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/fluo/formaldehyde_TBE_CBS.dat b/static/data/fluo/formaldehyde_TBE(Full)_CBS.dat similarity index 96% rename from static/data/fluo/formaldehyde_TBE_CBS.dat rename to static/data/fluo/formaldehyde_TBE(Full)_CBS.dat index bc2bfc6e..f3c1fac3 100644 --- a/static/data/fluo/formaldehyde_TBE_CBS.dat +++ b/static/data/fluo/formaldehyde_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Formaldehyde # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/fluo/formaldehyde_TBE(FC)_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/fluo/formaldehyde_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/fluo/formaldehyde_TBE_aug-cc-pVTZ.dat index 489d0632..a72265f8 100644 --- a/static/data/fluo/formaldehyde_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/fluo/formaldehyde_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Formaldehyde # Comment : # code : -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/fluo/ketene_TBE_CBS.dat b/static/data/fluo/ketene_TBE(Full)_CBS.dat similarity index 96% rename from static/data/fluo/ketene_TBE_CBS.dat rename to static/data/fluo/ketene_TBE(Full)_CBS.dat index 3e842eae..b7ca9ca5 100644 --- a/static/data/fluo/ketene_TBE_CBS.dat +++ b/static/data/fluo/ketene_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Ketene # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/fluo/ketene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/fluo/ketene_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/fluo/ketene_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/fluo/ketene_TBE_aug-cc-pVTZ.dat index e3fa33e0..f1a2a749 100644 --- a/static/data/fluo/ketene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/fluo/ketene_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Ketene # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/fluo/nitrosomethane_TBE_CBS.dat b/static/data/fluo/nitrosomethane_TBE(Full)_CBS.dat similarity index 96% rename from static/data/fluo/nitrosomethane_TBE_CBS.dat rename to static/data/fluo/nitrosomethane_TBE(Full)_CBS.dat index 1edec74c..f93f8d97 100644 --- a/static/data/fluo/nitrosomethane_TBE_CBS.dat +++ b/static/data/fluo/nitrosomethane_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Nitrosomethane # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/fluo/nitrosomethane_TBE(FC)_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/fluo/nitrosomethane_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/fluo/nitrosomethane_TBE_aug-cc-pVTZ.dat index d2e9cd3c..49745813 100644 --- a/static/data/fluo/nitrosomethane_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/fluo/nitrosomethane_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Nitrosomethane # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/fluo/thioformaldehyde_TBE_CBS.dat b/static/data/fluo/thioformaldehyde_TBE(Full)_CBS.dat similarity index 96% rename from static/data/fluo/thioformaldehyde_TBE_CBS.dat rename to static/data/fluo/thioformaldehyde_TBE(Full)_CBS.dat index b4e5126c..d036bcf8 100644 --- a/static/data/fluo/thioformaldehyde_TBE_CBS.dat +++ b/static/data/fluo/thioformaldehyde_TBE(Full)_CBS.dat @@ -1,7 +1,7 @@ # Molecule : Thioformaldehyde # Comment : # code : MRCC -# method : TBE,CBS +# method : TBE(Full),CBS # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/fluo/thioformaldehyde_TBE(FC)_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_TBE_aug-cc-pVTZ.dat similarity index 95% rename from static/data/fluo/thioformaldehyde_TBE(FC)_aug-cc-pVTZ.dat rename to static/data/fluo/thioformaldehyde_TBE_aug-cc-pVTZ.dat index 4cc7afb1..ffcc5d17 100644 --- a/static/data/fluo/thioformaldehyde_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/fluo/thioformaldehyde_TBE_aug-cc-pVTZ.dat @@ -1,7 +1,7 @@ # Molecule : Thioformaldehyde # Comment : # code : MRCC -# method : TBE(FC),aug-cc-pVTZ +# method : TBE,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406