Merge branch 'master' into xyz-files

static/data/abs/allyl_RO-CC3_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : RO-CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/allyl_RO-CCSD_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : RO-CCSD,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/allyl_TBE(FC)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : TBE(FC),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/allyl_U-CC3_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : U-CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/allyl_U-CCSD_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : U-CCSD,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/bef_RO-CC3_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : RO-CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/bef_RO-CCSD_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : RO-CCSD,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/bef_TBE(FC)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : TBE(FC),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/bef_U-CC3_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : U-CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/bef_U-CCSD_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : U-CCSD,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/beh_RO-CC3_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : RO-CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/beh_RO-CCSD_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : RO-CCSD,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/beh_TBE(FC)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : TBE(FC),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/beh_U-CC3_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : U-CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/beh_U-CCSD_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : U-CCSD,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/bh2_RO-CC3_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : RO-CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/bh2_RO-CCSD_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : RO-CCSD,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/bh2_TBE(FC)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : TBE(FC),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/bh2_U-CC3_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : U-CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/bh2_U-CCSD_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : U-CCSD,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2.5),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CC2_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CC3(FC)_6-31+G(d).dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(FC),6-31+G(d)
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pV5Z.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(FC),aug-cc-pV5Z
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVDZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(FC),aug-cc-pVDZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVQZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(FC),aug-cc-pVQZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(FC),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pCVQZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(Full),aug-cc-pCVQZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pVQZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(Full),aug-cc-pVQZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CC3_6-31+G(d).dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,6-31+G(d)
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CC3_aug-cc-pVDZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVDZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CC3_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CCSDR(3)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSDR(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CCSDT-3_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CCSDT_6-31+G(d).dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSDT,6-31+G(d)
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVDZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSDT,aug-cc-pVDZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSDT,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CCSD_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_CIS(D)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CIS(D),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_EOM-MP2_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : EOM-MP2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_FCI_aug-cc-pVDZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : FCI,aug-cc-pVDZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_FCI_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : FCI,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2 [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [QM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2 [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : STEOM-CCSD,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_TBE(FC)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : TBE(FC),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbonylfluoride_TBE_CBS.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : TBE,CBS
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2.5),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CC3(FC)_6-31+G(d).dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(FC),6-31+G(d)
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CC3(FC)_aug-cc-pV5Z.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(FC),aug-cc-pV5Z
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CC3(FC)_aug-cc-pVDZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(FC),aug-cc-pVDZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CC3(FC)_aug-cc-pVQZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(FC),aug-cc-pVQZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CC3(FC)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(FC),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(Full),aug-cc-pCVQZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(Full),aug-cc-pVQZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(SC),aug-cc-pVQZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CC3_6-31+G(d).dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,6-31+G(d)
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVDZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSDR(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSDTQ,6-31+G(d)
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CCSDT_6-31+G(d).dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSDT,6-31+G(d)
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSDT,aug-cc-pVDZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSDT,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CIS(D),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : EOM-MP2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : FCI,aug-cc-pVDZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : FCI,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2 [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [QM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2 [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : STEOM-CCSD,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_TBE(FC)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : TBE(FC),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ccl2_TBE_CBS.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : TBE,CBS
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2.5),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cclf_CC2_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cclf_CC3(FC)_6-31+G(d).dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(FC),6-31+G(d)
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cclf_CC3(FC)_aug-cc-pV5Z.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(FC),aug-cc-pV5Z
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cclf_CC3(FC)_aug-cc-pVDZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(FC),aug-cc-pVDZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cclf_CC3(FC)_aug-cc-pVQZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(FC),aug-cc-pVQZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cclf_CC3(FC)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(FC),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cclf_CC3(Full)_aug-cc-pCVQZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(Full),aug-cc-pCVQZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cclf_CC3(Full)_aug-cc-pVQZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(Full),aug-cc-pVQZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cclf_CC3(SC)_aug-cc-pVQZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3(SC),aug-cc-pVQZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cclf_CC3_6-31+G(d).dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,6-31+G(d)
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cclf_CC3_aug-cc-pVDZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVDZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cclf_CC3_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cclf_CCSDR(3)_aug-cc-pVTZ.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSDR(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # DOI      : 10.1021/acs.jctc.0c00227,true
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe