From dfb6a2a14a9e08eb5946f6b04d7e5bdd134c73df Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Tue, 15 Sep 2020 15:21:02 +0200
Subject: [PATCH] Add code for QUEST#3 ADC

---
 static/data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat    | 2 +-
 static/data/abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat    | 2 +-
 static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat | 2 +-
 static/data/abs/difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat    | 2 +-
 static/data/abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/silylidene_ADC(2)_aug-cc-pVTZ.dat          | 2 +-
 static/data/abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/silylidene_ADC(3)_aug-cc-pVTZ.dat          | 2 +-
 42 files changed, 42 insertions(+), 42 deletions(-)

diff --git a/static/data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat
index e3ad6ed3..231f2678 100644
--- a/static/data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : Carbonylfluoride
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat
index e475b648..f5512f72 100644
--- a/static/data/abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : Carbonylfluoride
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2.5),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat
index ce7b6c4f..513e9b17 100644
--- a/static/data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : Carbonylfluoride
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(3),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat
index fa26041b..52c34162 100644
--- a/static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{CCl2}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat
index 105f3985..015dd20e 100644
--- a/static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{CCl2}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2.5),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat
index a533323f..a10d32e9 100644
--- a/static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{CCl2}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(3),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat
index 17b38120..76448e5b 100644
--- a/static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{CClF}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat
index f4aa0c0d..8c4a2111 100644
--- a/static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{CClF}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2.5),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat
index ce13a2fd..087ef71f 100644
--- a/static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{CClF}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(3),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat
index fea7739c..d4599eea 100644
--- a/static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{CF2}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat
index 8c43e63b..d4596fa9 100644
--- a/static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{CF2}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2.5),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat
index f5d74ae2..bfad6ff3 100644
--- a/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{CF2}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(3),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat
index a9c87c4d..0705e9ec 100644
--- a/static/data/abs/difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : Difluorodiazirine
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat
index acbc93f1..c18ee600 100644
--- a/static/data/abs/difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : Difluorodiazirine
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2.5),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat
index d0db95f4..0f35689b 100644
--- a/static/data/abs/difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : Difluorodiazirine
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(3),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat
index 64b3a2b9..061620ac 100644
--- a/static/data/abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : Formylfluoride
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat
index 9396e874..421cc5ef 100644
--- a/static/data/abs/formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : Formylfluoride
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2.5),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat
index 14c5adb9..a38e02ba 100644
--- a/static/data/abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : Formylfluoride
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(3),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat
index f5406ba8..658d2746 100644
--- a/static/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HCCl}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat
index 1f2f0649..abd13b4a 100644
--- a/static/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HCCl}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2.5),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat
index 17f9bca0..c658a5a9 100644
--- a/static/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HCCl}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(3),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat
index d1c8c065..13d01199 100644
--- a/static/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HCF}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat
index 54a3a4c2..6407a9f2 100644
--- a/static/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HCF}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2.5),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat
index 115c46bd..7395458e 100644
--- a/static/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HCF}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(3),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat
index ac3e6952..991deb09 100644
--- a/static/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HCP}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat
index 946eca6a..7560e2ac 100644
--- a/static/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HCP}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2.5),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat
index 5165a2db..ae493407 100644
--- a/static/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HCP}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(3),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat
index 82f013ea..9da2d646 100644
--- a/static/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HPO}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat
index e69f4887..39fd7f4c 100644
--- a/static/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HPO}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2.5),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat
index 47f06574..a88f7952 100644
--- a/static/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HPO}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(3),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat
index 880e19a2..f2a2baff 100644
--- a/static/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HPS}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat
index 9f4b9b5a..1f34f8c3 100644
--- a/static/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HPS}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2.5),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat
index 813ac6da..b4a4a986 100644
--- a/static/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HPS}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(3),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat
index 19681fc5..6103df6d 100644
--- a/static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HSiF}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat
index 85afbb07..5e61cd3b 100644
--- a/static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HSiF}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2.5),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat
index a54b3341..c06bfbfa 100644
--- a/static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{HSiF}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(3),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat
index 8bafb225..f42b10c9 100644
--- a/static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{SiCl2}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat
index fde1a78b..103765e4 100644
--- a/static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{SiCl2}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2.5),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat
index fc3f2743..84362f14 100644
--- a/static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : \ce{SiCl2}
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(3),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/silylidene_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_ADC(2)_aug-cc-pVTZ.dat
index 921ff7ca..549a3e71 100644
--- a/static/data/abs/silylidene_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_ADC(2)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : Silylidene
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat
index 9093d7ac..977c809c 100644
--- a/static/data/abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : Silylidene
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(2.5),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227
diff --git a/static/data/abs/silylidene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_ADC(3)_aug-cc-pVTZ.dat
index b8ee7450..445bbb39 100644
--- a/static/data/abs/silylidene_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_ADC(3)_aug-cc-pVTZ.dat
@@ -1,6 +1,6 @@
 # Molecule : Silylidene
 # Comment  : 
-# code     : 
+# code     : Q-CHEM
 # method   : ADC(3),aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # article  : 10.1021/acs.jctc.0c00227