Put geom in QUEST#3 ADC

static/data/abs/acetaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/acetaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/acetaldehyde_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/acetaldehyde_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/acetone_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/acetone_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/acetone_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/acetone_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/acetylene_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/acetylene_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/acetylene_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/acetylene_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/acrolein_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/acrolein_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/acrolein_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/acrolein_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ammonia_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ammonia_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ammonia_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ammonia_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/benzene_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/benzene_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/benzene_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/benzene_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/butadiene_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/butadiene_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/butadiene_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/butadiene_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbon_monoxyde_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbon_monoxyde_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbon_monoxyde_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/carbon_monoxyde_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyanoacetylene_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyanoacetylene_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyanoacetylene_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyanoacetylene_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyanoformaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyanoformaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyanoformaldehyde_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyanoformaldehyde_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyanogen_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyanogen_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyanogen_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyanogen_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyclopentadiene_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyclopentadiene_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyclopentadiene_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyclopentadiene_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyclopropene_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyclopropene_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyclopropene_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyclopropene_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyclopropenethione_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyclopropenethione_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyclopropenethione_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyclopropenethione_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyclopropenone_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyclopropenone_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/cyclopropenone_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/diacetylene_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/diacetylene_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/diacetylene_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/diazomethane_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/diazomethane_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/diazomethane_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/diazomethane_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/dinitrogen_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/dinitrogen_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ethylene_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ethylene_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ethylene_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/ethylene_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/formaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/formaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/formaldehyde_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/formaldehyde_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/formamide_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/formamide_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/formamide_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/formamide_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/furan_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/furan_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/furan_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/furan_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/glyoxal_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/glyoxal_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/glyoxal_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/glyoxal_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/hydrogen_chloride_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/hydrogen_chloride_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/hydrogen_chloride_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/hydrogen_chloride_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/hydrogen_sulfide_ADC(2)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/hydrogen_sulfide_ADC(3)_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/hydrogen_sulfide_CC2_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe

static/data/abs/hydrogen_sulfide_CC3_aug-cc-pVTZ_addon.dat

@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CC3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jpclett.9b03652
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe