From 5db9a8d640644f2390758aa1c096b86c71eccae6 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Sat, 28 Mar 2020 13:23:46 +0100
Subject: [PATCH] Use "double" prefix to prevent same file names for datafiles

---
 ...(d).dat => acrolein_CASPT2_6-31+G(d)_double.dat} |  0
 ...Z.dat => acrolein_CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...Z.dat => acrolein_CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...Z.dat => acrolein_CASPT2_aug-cc-pVTZ_double.dat} |  0
 static/data/abs/acrolein_CC3_6-31+G(d)_double.dat   | 11 +++++++++++
 static/data/abs/acrolein_CC3_aug-cc-pVDZ_double.dat | 11 +++++++++++
 static/data/abs/acrolein_CC3_aug-cc-pVTZ_double.dat | 11 +++++++++++
 ....dat => acrolein_MS-CASPT2_6-31+G(d)_double.dat} |  0
 ...at => acrolein_MS-CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...at => acrolein_MS-CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...at => acrolein_MS-CASPT2_aug-cc-pVTZ_double.dat} |  0
 ....dat => acrolein_PC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...at => acrolein_PC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...at => acrolein_PC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...at => acrolein_PC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ....dat => acrolein_SC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...at => acrolein_SC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...at => acrolein_SC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...at => acrolein_SC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...dat => acrolein_XMS-CASPT2_6-31+G(d)_double.dat} |  0
 ...t => acrolein_XMS-CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...t => acrolein_XMS-CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...t => acrolein_XMS-CASPT2_aug-cc-pVTZ_double.dat} |  0
 ...G(d).dat => acrolein_exFCI_6-31+G(d)_double.dat} |  0
 static/data/abs/acrolein_exFCI_double.dat           | 12 ++++++++++++
 ...G(d).dat => benzene_CASPT2_6-31+G(d)_double.dat} |  0
 ...DZ.dat => benzene_CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...QZ.dat => benzene_CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...TZ.dat => benzene_CASPT2_aug-cc-pVTZ_double.dat} |  0
 static/data/abs/benzene_CASPT2_double.dat           | 11 +++++++++++
 static/data/abs/benzene_CC3_6-31+G(d)_double.dat    | 11 +++++++++++
 static/data/abs/benzene_CC3_aug-cc-pVDZ_double.dat  | 11 +++++++++++
 static/data/abs/benzene_CC3_aug-cc-pVTZ_double.dat  | 11 +++++++++++
 static/data/abs/benzene_CCSDT_6-31+G(d)_double.dat  | 11 +++++++++++
 .../data/abs/benzene_CCSDT_aug-cc-pVDZ_double.dat   | 11 +++++++++++
 ...).dat => benzene_MS-CASPT2_6-31+G(d)_double.dat} |  0
 ...dat => benzene_MS-CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...dat => benzene_MS-CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...dat => benzene_MS-CASPT2_aug-cc-pVTZ_double.dat} |  0
 ...).dat => benzene_PC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...dat => benzene_PC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...dat => benzene_PC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...dat => benzene_PC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...).dat => benzene_SC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...dat => benzene_SC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...dat => benzene_SC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...dat => benzene_SC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ....dat => benzene_XMS-CASPT2_6-31+G(d)_double.dat} |  0
 ...at => benzene_XMS-CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...at => benzene_XMS-CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...at => benzene_XMS-CASPT2_aug-cc-pVTZ_double.dat} |  0
 ...+G(d).dat => benzene_exFCI_6-31+G(d)_double.dat} |  0
 ...VDZ.dat => benzene_exFCI_aug-cc-pVDZ_double.dat} |  0
 ...VQZ.dat => benzene_exFCI_aug-cc-pVQZ_double.dat} |  0
 ...VTZ.dat => benzene_exFCI_aug-cc-pVTZ_double.dat} |  0
 static/data/abs/benzene_exFCI_double.dat            | 12 ++++++++++++
 ...d).dat => beryllium_CASPT2_6-31+G(d)_double.dat} |  0
 ....dat => beryllium_CASPT2_aug-cc-pVDZ_double.dat} |  0
 ....dat => beryllium_CASPT2_aug-cc-pVQZ_double.dat} |  0
 ....dat => beryllium_CASPT2_aug-cc-pVTZ_double.dat} |  0
 ...+G(d).dat => beryllium_CC3_6-31+G(d)_double.dat} |  0
 ...VDZ.dat => beryllium_CC3_aug-cc-pVDZ_double.dat} |  0
 ...VQZ.dat => beryllium_CC3_aug-cc-pVQZ_double.dat} |  0
 ...VTZ.dat => beryllium_CC3_aug-cc-pVTZ_double.dat} |  0
 ...d).dat => beryllium_CCSDTQ_6-31+G(d)_double.dat} |  0
 ....dat => beryllium_CCSDTQ_aug-cc-pVDZ_double.dat} |  0
 ....dat => beryllium_CCSDTQ_aug-cc-pVQZ_double.dat} |  0
 ....dat => beryllium_CCSDTQ_aug-cc-pVTZ_double.dat} |  0
 ...(d).dat => beryllium_CCSDT_6-31+G(d)_double.dat} |  0
 ...Z.dat => beryllium_CCSDT_aug-cc-pVDZ_double.dat} |  0
 ...Z.dat => beryllium_CCSDT_aug-cc-pVQZ_double.dat} |  0
 ...Z.dat => beryllium_CCSDT_aug-cc-pVTZ_double.dat} |  0
 ...d).dat => beryllium_NEVPT2_6-31+G(d)_double.dat} |  0
 ....dat => beryllium_NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ....dat => beryllium_NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ....dat => beryllium_NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...(d).dat => beryllium_exFCI_6-31+G(d)_double.dat} |  0
 ...Z.dat => beryllium_exFCI_aug-cc-pVDZ_double.dat} |  0
 ...Z.dat => beryllium_exFCI_aug-cc-pVQZ_double.dat} |  0
 ...Z.dat => beryllium_exFCI_aug-cc-pVTZ_double.dat} |  0
 static/data/abs/beryllium_exFCI_double.dat          | 12 ++++++++++++
 ...d).dat => butadiene_CASPT2_6-31+G(d)_double.dat} |  0
 ....dat => butadiene_CASPT2_aug-cc-pVDZ_double.dat} |  0
 ....dat => butadiene_CASPT2_aug-cc-pVQZ_double.dat} |  0
 ....dat => butadiene_CASPT2_aug-cc-pVTZ_double.dat} |  0
 static/data/abs/butadiene_CC3_6-31+G(d)_double.dat  | 11 +++++++++++
 .../data/abs/butadiene_CC3_aug-cc-pVDZ_double.dat   | 11 +++++++++++
 ...VQZ.dat => butadiene_CC3_aug-cc-pVQZ_double.dat} |  0
 .../data/abs/butadiene_CC3_aug-cc-pVTZ_double.dat   | 11 +++++++++++
 .../data/abs/butadiene_CCSDT_6-31+G(d)_double.dat   | 11 +++++++++++
 .../data/abs/butadiene_CCSDT_aug-cc-pVDZ_double.dat | 11 +++++++++++
 ...dat => butadiene_PC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...t => butadiene_PC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...t => butadiene_PC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...t => butadiene_PC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...dat => butadiene_SC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...t => butadiene_SC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...t => butadiene_SC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...t => butadiene_SC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...(d).dat => butadiene_exFCI_6-31+G(d)_double.dat} |  0
 ...Z.dat => butadiene_exFCI_aug-cc-pVDZ_double.dat} |  0
 ...Z.dat => butadiene_exFCI_aug-cc-pVQZ_double.dat} |  0
 ...Z.dat => butadiene_exFCI_aug-cc-pVTZ_double.dat} |  0
 static/data/abs/butadiene_exFCI_double.dat          | 12 ++++++++++++
 ...dat => carbon_dimer_CASPT2_6-31+G(d)_double.dat} |  0
 ...t => carbon_dimer_CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...t => carbon_dimer_CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...t => carbon_dimer_CASPT2_aug-cc-pVTZ_double.dat} |  0
 ...d).dat => carbon_dimer_CC3_6-31+G(d)_double.dat} |  0
 ....dat => carbon_dimer_CC3_aug-cc-pVDZ_double.dat} |  0
 ....dat => carbon_dimer_CC3_aug-cc-pVQZ_double.dat} |  0
 ....dat => carbon_dimer_CC3_aug-cc-pVTZ_double.dat} |  0
 ...at => carbon_dimer_CCSDTQP_6-31+G(d)_double.dat} |  0
 ... => carbon_dimer_CCSDTQP_aug-cc-pVDZ_double.dat} |  0
 ...dat => carbon_dimer_CCSDTQ_6-31+G(d)_double.dat} |  0
 ...t => carbon_dimer_CCSDTQ_aug-cc-pVDZ_double.dat} |  0
 ...t => carbon_dimer_CCSDTQ_aug-cc-pVTZ_double.dat} |  0
 ....dat => carbon_dimer_CCSDT_6-31+G(d)_double.dat} |  0
 ...at => carbon_dimer_CCSDT_aug-cc-pVDZ_double.dat} |  0
 ...at => carbon_dimer_CCSDT_aug-cc-pVQZ_double.dat} |  0
 ...at => carbon_dimer_CCSDT_aug-cc-pVTZ_double.dat} |  0
 ... => carbon_dimer_PC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...> carbon_dimer_PC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...> carbon_dimer_PC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...> carbon_dimer_PC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ... => carbon_dimer_SC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...> carbon_dimer_SC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...> carbon_dimer_SC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...> carbon_dimer_SC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ....dat => carbon_dimer_exFCI_6-31+G(d)_double.dat} |  0
 ...at => carbon_dimer_exFCI_aug-cc-pVDZ_double.dat} |  0
 ...at => carbon_dimer_exFCI_aug-cc-pVQZ_double.dat} |  0
 ...at => carbon_dimer_exFCI_aug-cc-pVTZ_double.dat} |  0
 static/data/abs/carbon_dimer_exFCI_double.dat       | 12 ++++++++++++
 ...at => carbon_trimer_CASPT2_6-31+G(d)_double.dat} |  0
 ... => carbon_trimer_CASPT2_aug-cc-pVDZ_double.dat} |  0
 ... => carbon_trimer_CASPT2_aug-cc-pVQZ_double.dat} |  0
 ... => carbon_trimer_CASPT2_aug-cc-pVTZ_double.dat} |  0
 ...).dat => carbon_trimer_CC3_6-31+G(d)_double.dat} |  0
 ...dat => carbon_trimer_CC3_aug-cc-pVDZ_double.dat} |  0
 ...dat => carbon_trimer_CC3_aug-cc-pVQZ_double.dat} |  0
 ...dat => carbon_trimer_CC3_aug-cc-pVTZ_double.dat} |  0
 ...at => carbon_trimer_CCSDTQ_6-31+G(d)_double.dat} |  0
 ... => carbon_trimer_CCSDTQ_aug-cc-pVDZ_double.dat} |  0
 ...dat => carbon_trimer_CCSDT_6-31+G(d)_double.dat} |  0
 ...t => carbon_trimer_CCSDT_aug-cc-pVDZ_double.dat} |  0
 ...t => carbon_trimer_CCSDT_aug-cc-pVQZ_double.dat} |  0
 ...t => carbon_trimer_CCSDT_aug-cc-pVTZ_double.dat} |  0
 ...=> carbon_trimer_PC-NEVPT2_6-31+G(d)_double.dat} |  0
 ... carbon_trimer_PC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ... carbon_trimer_PC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ... carbon_trimer_PC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...=> carbon_trimer_SC-NEVPT2_6-31+G(d)_double.dat} |  0
 ... carbon_trimer_SC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ... carbon_trimer_SC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ... carbon_trimer_SC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...dat => carbon_trimer_exFCI_6-31+G(d)_double.dat} |  0
 ...t => carbon_trimer_exFCI_aug-cc-pVDZ_double.dat} |  0
 ...t => carbon_trimer_exFCI_aug-cc-pVQZ_double.dat} |  0
 ...t => carbon_trimer_exFCI_aug-cc-pVTZ_double.dat} |  0
 static/data/abs/carbon_trimer_exFCI_double.dat      | 11 +++++++++++
 ...(d).dat => ethylene_CASPT2_6-31+G(d)_double.dat} |  0
 ...Z.dat => ethylene_CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...Z.dat => ethylene_CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...Z.dat => ethylene_CASPT2_aug-cc-pVTZ_double.dat} |  0
 static/data/abs/ethylene_CC3_6-31+G(d)_double.dat   | 11 +++++++++++
 static/data/abs/ethylene_CC3_aug-cc-pVDZ_double.dat | 11 +++++++++++
 ...pVQZ.dat => ethylene_CC3_aug-cc-pVQZ_double.dat} |  0
 static/data/abs/ethylene_CC3_aug-cc-pVTZ_double.dat | 11 +++++++++++
 ...d).dat => ethylene_CCSDTQP_6-31+G(d)_double.dat} |  0
 .../data/abs/ethylene_CCSDTQ_6-31+G(d)_double.dat   | 11 +++++++++++
 .../data/abs/ethylene_CCSDTQ_aug-cc-pVDZ_double.dat | 11 +++++++++++
 static/data/abs/ethylene_CCSDT_6-31+G(d)_double.dat | 11 +++++++++++
 .../data/abs/ethylene_CCSDT_aug-cc-pVDZ_double.dat  | 11 +++++++++++
 ....dat => ethylene_MS-CASPT2_6-31+G(d)_double.dat} |  0
 ...at => ethylene_MS-CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...at => ethylene_MS-CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...at => ethylene_MS-CASPT2_aug-cc-pVTZ_double.dat} |  0
 ....dat => ethylene_PC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...at => ethylene_PC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...at => ethylene_PC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...at => ethylene_PC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ....dat => ethylene_SC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...at => ethylene_SC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...at => ethylene_SC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...at => ethylene_SC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...dat => ethylene_XMS-CASPT2_6-31+G(d)_double.dat} |  0
 ...t => ethylene_XMS-CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...t => ethylene_XMS-CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...t => ethylene_XMS-CASPT2_aug-cc-pVTZ_double.dat} |  0
 ...G(d).dat => ethylene_exFCI_6-31+G(d)_double.dat} |  0
 .../data/abs/ethylene_exFCI_aug-cc-pVDZ_double.dat  | 12 ++++++++++++
 .../data/abs/ethylene_exFCI_aug-cc-pVTZ_double.dat  | 12 ++++++++++++
 static/data/abs/ethylene_exFCI_double.dat           | 12 ++++++++++++
 ...dat => formaldehyde_CASPT2_6-31+G(d)_double.dat} |  0
 ...t => formaldehyde_CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...t => formaldehyde_CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...t => formaldehyde_CASPT2_aug-cc-pVTZ_double.dat} |  0
 .../data/abs/formaldehyde_CC3_6-31+G(d)_double.dat  | 11 +++++++++++
 .../abs/formaldehyde_CC3_aug-cc-pVDZ_double.dat     | 11 +++++++++++
 ....dat => formaldehyde_CC3_aug-cc-pVQZ_double.dat} |  0
 .../abs/formaldehyde_CC3_aug-cc-pVTZ_double.dat     | 11 +++++++++++
 ...at => formaldehyde_CCSDTQP_6-31+G(d)_double.dat} |  0
 .../abs/formaldehyde_CCSDTQ_6-31+G(d)_double.dat    | 11 +++++++++++
 .../abs/formaldehyde_CCSDTQ_aug-cc-pVDZ_double.dat  | 11 +++++++++++
 .../abs/formaldehyde_CCSDT_6-31+G(d)_double.dat     | 11 +++++++++++
 .../abs/formaldehyde_CCSDT_aug-cc-pVDZ_double.dat   | 11 +++++++++++
 ...at => formaldehyde_CCSDT_aug-cc-pVQZ_double.dat} |  0
 .../abs/formaldehyde_CCSDT_aug-cc-pVTZ_double.dat   | 11 +++++++++++
 ... => formaldehyde_MS-CASPT2_6-31+G(d)_double.dat} |  0
 ...> formaldehyde_MS-CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...> formaldehyde_MS-CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...> formaldehyde_MS-CASPT2_aug-cc-pVTZ_double.dat} |  0
 ... => formaldehyde_PC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...> formaldehyde_PC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...> formaldehyde_PC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...> formaldehyde_PC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ... => formaldehyde_SC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...> formaldehyde_SC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...> formaldehyde_SC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...> formaldehyde_SC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...=> formaldehyde_XMS-CASPT2_6-31+G(d)_double.dat} |  0
 ... formaldehyde_XMS-CASPT2_aug-cc-pVDZ_double.dat} |  0
 ... formaldehyde_XMS-CASPT2_aug-cc-pVQZ_double.dat} |  0
 ... formaldehyde_XMS-CASPT2_aug-cc-pVTZ_double.dat} |  0
 ....dat => formaldehyde_exFCI_6-31+G(d)_double.dat} |  0
 .../abs/formaldehyde_exFCI_aug-cc-pVDZ_double.dat   | 12 ++++++++++++
 .../abs/formaldehyde_exFCI_aug-cc-pVTZ_double.dat   | 11 +++++++++++
 static/data/abs/formaldehyde_exFCI_double.dat       | 12 ++++++++++++
 ...G(d).dat => glyoxal_CASPT2_6-31+G(d)_double.dat} |  0
 ...DZ.dat => glyoxal_CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...QZ.dat => glyoxal_CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...TZ.dat => glyoxal_CASPT2_aug-cc-pVTZ_double.dat} |  0
 static/data/abs/glyoxal_CC3_6-31+G(d)_double.dat    | 12 ++++++++++++
 static/data/abs/glyoxal_CC3_aug-cc-pVDZ_double.dat  | 12 ++++++++++++
 ...-pVQZ.dat => glyoxal_CC3_aug-cc-pVQZ_double.dat} |  0
 static/data/abs/glyoxal_CC3_aug-cc-pVTZ_double.dat  | 11 +++++++++++
 static/data/abs/glyoxal_CC3_double.dat              | 11 +++++++++++
 static/data/abs/glyoxal_CCSDT_6-31+G(d)_double.dat  | 11 +++++++++++
 .../data/abs/glyoxal_CCSDT_aug-cc-pVDZ_double.dat   | 11 +++++++++++
 .../data/abs/glyoxal_CCSDT_aug-cc-pVTZ_double.dat   | 11 +++++++++++
 ...).dat => glyoxal_PC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...dat => glyoxal_PC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...dat => glyoxal_PC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...dat => glyoxal_PC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...).dat => glyoxal_SC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...dat => glyoxal_SC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...dat => glyoxal_SC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...dat => glyoxal_SC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...+G(d).dat => glyoxal_exFCI_6-31+G(d)_double.dat} |  0
 ...VDZ.dat => glyoxal_exFCI_aug-cc-pVDZ_double.dat} |  0
 static/data/abs/glyoxal_exFCI_double.dat            | 11 +++++++++++
 ...).dat => hexatriene_CASPT2_6-31+G(d)_double.dat} |  0
 ...dat => hexatriene_CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...dat => hexatriene_CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...dat => hexatriene_CASPT2_aug-cc-pVTZ_double.dat} |  0
 ...G(d).dat => hexatriene_CC3_6-31+G(d)_double.dat} |  0
 ...DZ.dat => hexatriene_CC3_aug-cc-pVDZ_double.dat} |  0
 static/data/abs/hexatriene_CC3_double.dat           | 11 +++++++++++
 ...d).dat => hexatriene_CCSDT_6-31+G(d)_double.dat} |  0
 ...at => hexatriene_PC-NEVPT2_6-31+G(d)_double.dat} |  0
 ... => hexatriene_PC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ... => hexatriene_PC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ... => hexatriene_PC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...at => hexatriene_SC-NEVPT2_6-31+G(d)_double.dat} |  0
 ... => hexatriene_SC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ... => hexatriene_SC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ... => hexatriene_SC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...d).dat => hexatriene_exFCI_6-31+G(d)_double.dat} |  0
 ....dat => hexatriene_exFCI_aug-cc-pVDZ_double.dat} |  0
 ....dat => hexatriene_exFCI_aug-cc-pVTZ_double.dat} |  0
 static/data/abs/hexatriene_exFCI_double.dat         | 11 +++++++++++
 ...t => nitrosomethane_CASPT2_6-31+G(d)_double.dat} |  0
 ...=> nitrosomethane_CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...=> nitrosomethane_CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...=> nitrosomethane_CASPT2_aug-cc-pVTZ_double.dat} |  0
 .../abs/nitrosomethane_CC3_6-31+G(d)_double.dat     | 11 +++++++++++
 .../abs/nitrosomethane_CC3_aug-cc-pVDZ_double.dat   | 11 +++++++++++
 ...at => nitrosomethane_CC3_aug-cc-pVQZ_double.dat} |  0
 .../abs/nitrosomethane_CC3_aug-cc-pVTZ_double.dat   | 11 +++++++++++
 .../abs/nitrosomethane_CCSDT_6-31+G(d)_double.dat   | 11 +++++++++++
 .../abs/nitrosomethane_CCSDT_aug-cc-pVDZ_double.dat | 11 +++++++++++
 .../abs/nitrosomethane_CCSDT_aug-cc-pVTZ_double.dat | 11 +++++++++++
 ...> nitrosomethane_PC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...nitrosomethane_PC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...nitrosomethane_PC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...nitrosomethane_PC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...> nitrosomethane_SC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...nitrosomethane_SC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...nitrosomethane_SC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...nitrosomethane_SC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...at => nitrosomethane_exFCI_6-31+G(d)_double.dat} |  0
 .../abs/nitrosomethane_exFCI_aug-cc-pVDZ_double.dat | 12 ++++++++++++
 ... => nitrosomethane_exFCI_aug-cc-pVQZ_double.dat} |  0
 .../abs/nitrosomethane_exFCI_aug-cc-pVTZ_double.dat | 12 ++++++++++++
 static/data/abs/nitrosomethane_exFCI_double.dat     | 11 +++++++++++
 ...(d).dat => nitroxyl_CASPT2_6-31+G(d)_double.dat} |  0
 ...Z.dat => nitroxyl_CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...Z.dat => nitroxyl_CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...Z.dat => nitroxyl_CASPT2_aug-cc-pVTZ_double.dat} |  0
 ...1+G(d).dat => nitroxyl_CC3_6-31+G(d)_double.dat} |  0
 ...pVDZ.dat => nitroxyl_CC3_aug-cc-pVDZ_double.dat} |  0
 ...pVQZ.dat => nitroxyl_CC3_aug-cc-pVQZ_double.dat} |  0
 ...pVTZ.dat => nitroxyl_CC3_aug-cc-pVTZ_double.dat} |  0
 ...d).dat => nitroxyl_CCSDTQP_6-31+G(d)_double.dat} |  0
 ...(d).dat => nitroxyl_CCSDTQ_6-31+G(d)_double.dat} |  0
 ...Z.dat => nitroxyl_CCSDTQ_aug-cc-pVDZ_double.dat} |  0
 ...G(d).dat => nitroxyl_CCSDT_6-31+G(d)_double.dat} |  0
 ...DZ.dat => nitroxyl_CCSDT_aug-cc-pVDZ_double.dat} |  0
 ...QZ.dat => nitroxyl_CCSDT_aug-cc-pVQZ_double.dat} |  0
 ...TZ.dat => nitroxyl_CCSDT_aug-cc-pVTZ_double.dat} |  0
 ....dat => nitroxyl_PC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...at => nitroxyl_PC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...at => nitroxyl_PC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...at => nitroxyl_PC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ....dat => nitroxyl_SC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...at => nitroxyl_SC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...at => nitroxyl_SC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...at => nitroxyl_SC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...G(d).dat => nitroxyl_exFCI_6-31+G(d)_double.dat} |  0
 ...DZ.dat => nitroxyl_exFCI_aug-cc-pVDZ_double.dat} |  0
 ...QZ.dat => nitroxyl_exFCI_aug-cc-pVQZ_double.dat} |  0
 ...TZ.dat => nitroxyl_exFCI_aug-cc-pVTZ_double.dat} |  0
 ...(d).dat => pyrazine_CASPT2_6-31+G(d)_double.dat} |  0
 ...Z.dat => pyrazine_CASPT2_aug-cc-pVDZ_double.dat} |  0
 ...Z.dat => pyrazine_CASPT2_aug-cc-pVQZ_double.dat} |  0
 ...Z.dat => pyrazine_CASPT2_aug-cc-pVTZ_double.dat} |  0
 static/data/abs/pyrazine_CC3_6-31+G(d)_double.dat   | 12 ++++++++++++
 static/data/abs/pyrazine_CC3_aug-cc-pVDZ_double.dat | 12 ++++++++++++
 static/data/abs/pyrazine_CC3_aug-cc-pVTZ_double.dat | 12 ++++++++++++
 static/data/abs/pyrazine_CCSDT_6-31+G(d)_double.dat | 11 +++++++++++
 .../data/abs/pyrazine_CCSDT_aug-cc-pVDZ_double.dat  | 11 +++++++++++
 static/data/abs/pyrazine_CCSDT_double.dat           | 11 +++++++++++
 ....dat => pyrazine_PC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...at => pyrazine_PC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...at => pyrazine_PC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...at => pyrazine_PC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ....dat => pyrazine_SC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...at => pyrazine_SC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...at => pyrazine_SC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...at => pyrazine_SC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...d).dat => tetrazine_CASPT2_6-31+G(d)_double.dat} |  0
 ....dat => tetrazine_CASPT2_aug-cc-pVDZ_double.dat} |  0
 ....dat => tetrazine_CASPT2_aug-cc-pVQZ_double.dat} |  0
 ....dat => tetrazine_CASPT2_aug-cc-pVTZ_double.dat} |  0
 static/data/abs/tetrazine_CC3_6-31+G(d)_double.dat  | 13 +++++++++++++
 .../data/abs/tetrazine_CC3_aug-cc-pVDZ_double.dat   | 13 +++++++++++++
 ...VQZ.dat => tetrazine_CC3_aug-cc-pVQZ_double.dat} |  0
 .../data/abs/tetrazine_CC3_aug-cc-pVTZ_double.dat   | 13 +++++++++++++
 static/data/abs/tetrazine_CC3_double.dat            | 12 ++++++++++++
 .../data/abs/tetrazine_CCSDT_6-31+G(d)_double.dat   | 11 +++++++++++
 .../data/abs/tetrazine_CCSDT_aug-cc-pVDZ_double.dat | 11 +++++++++++
 static/data/abs/tetrazine_CCSDT_double.dat          | 11 +++++++++++
 ...dat => tetrazine_PC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...t => tetrazine_PC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...t => tetrazine_PC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...t => tetrazine_PC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 ...dat => tetrazine_SC-NEVPT2_6-31+G(d)_double.dat} |  0
 ...t => tetrazine_SC-NEVPT2_aug-cc-pVDZ_double.dat} |  0
 ...t => tetrazine_SC-NEVPT2_aug-cc-pVQZ_double.dat} |  0
 ...t => tetrazine_SC-NEVPT2_aug-cc-pVTZ_double.dat} |  0
 361 files changed, 827 insertions(+)
 rename static/data/abs/{acrolein_CASPT2_6-31+G(d).dat => acrolein_CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{acrolein_CASPT2_aug-cc-pVDZ.dat => acrolein_CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{acrolein_CASPT2_aug-cc-pVQZ.dat => acrolein_CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{acrolein_CASPT2_aug-cc-pVTZ.dat => acrolein_CASPT2_aug-cc-pVTZ_double.dat} (100%)
 create mode 100644 static/data/abs/acrolein_CC3_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/acrolein_CC3_aug-cc-pVDZ_double.dat
 create mode 100644 static/data/abs/acrolein_CC3_aug-cc-pVTZ_double.dat
 rename static/data/abs/{acrolein_MS-CASPT2_6-31+G(d).dat => acrolein_MS-CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{acrolein_MS-CASPT2_aug-cc-pVDZ.dat => acrolein_MS-CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{acrolein_MS-CASPT2_aug-cc-pVQZ.dat => acrolein_MS-CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{acrolein_MS-CASPT2_aug-cc-pVTZ.dat => acrolein_MS-CASPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{acrolein_PC-NEVPT2_6-31+G(d).dat => acrolein_PC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{acrolein_PC-NEVPT2_aug-cc-pVDZ.dat => acrolein_PC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{acrolein_PC-NEVPT2_aug-cc-pVQZ.dat => acrolein_PC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{acrolein_PC-NEVPT2_aug-cc-pVTZ.dat => acrolein_PC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{acrolein_SC-NEVPT2_6-31+G(d).dat => acrolein_SC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{acrolein_SC-NEVPT2_aug-cc-pVDZ.dat => acrolein_SC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{acrolein_SC-NEVPT2_aug-cc-pVQZ.dat => acrolein_SC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{acrolein_SC-NEVPT2_aug-cc-pVTZ.dat => acrolein_SC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{acrolein_XMS-CASPT2_6-31+G(d).dat => acrolein_XMS-CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{acrolein_XMS-CASPT2_aug-cc-pVDZ.dat => acrolein_XMS-CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{acrolein_XMS-CASPT2_aug-cc-pVQZ.dat => acrolein_XMS-CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{acrolein_XMS-CASPT2_aug-cc-pVTZ.dat => acrolein_XMS-CASPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{acrolein_exFCI_6-31+G(d).dat => acrolein_exFCI_6-31+G(d)_double.dat} (100%)
 create mode 100644 static/data/abs/acrolein_exFCI_double.dat
 rename static/data/abs/{benzene_CASPT2_6-31+G(d).dat => benzene_CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{benzene_CASPT2_aug-cc-pVDZ.dat => benzene_CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{benzene_CASPT2_aug-cc-pVQZ.dat => benzene_CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{benzene_CASPT2_aug-cc-pVTZ.dat => benzene_CASPT2_aug-cc-pVTZ_double.dat} (100%)
 create mode 100644 static/data/abs/benzene_CASPT2_double.dat
 create mode 100644 static/data/abs/benzene_CC3_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/benzene_CC3_aug-cc-pVDZ_double.dat
 create mode 100644 static/data/abs/benzene_CC3_aug-cc-pVTZ_double.dat
 create mode 100644 static/data/abs/benzene_CCSDT_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/benzene_CCSDT_aug-cc-pVDZ_double.dat
 rename static/data/abs/{benzene_MS-CASPT2_6-31+G(d).dat => benzene_MS-CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{benzene_MS-CASPT2_aug-cc-pVDZ.dat => benzene_MS-CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{benzene_MS-CASPT2_aug-cc-pVQZ.dat => benzene_MS-CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{benzene_MS-CASPT2_aug-cc-pVTZ.dat => benzene_MS-CASPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{benzene_PC-NEVPT2_6-31+G(d).dat => benzene_PC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{benzene_PC-NEVPT2_aug-cc-pVDZ.dat => benzene_PC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{benzene_PC-NEVPT2_aug-cc-pVQZ.dat => benzene_PC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{benzene_PC-NEVPT2_aug-cc-pVTZ.dat => benzene_PC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{benzene_SC-NEVPT2_6-31+G(d).dat => benzene_SC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{benzene_SC-NEVPT2_aug-cc-pVDZ.dat => benzene_SC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{benzene_SC-NEVPT2_aug-cc-pVQZ.dat => benzene_SC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{benzene_SC-NEVPT2_aug-cc-pVTZ.dat => benzene_SC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{benzene_XMS-CASPT2_6-31+G(d).dat => benzene_XMS-CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{benzene_XMS-CASPT2_aug-cc-pVDZ.dat => benzene_XMS-CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{benzene_XMS-CASPT2_aug-cc-pVQZ.dat => benzene_XMS-CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{benzene_XMS-CASPT2_aug-cc-pVTZ.dat => benzene_XMS-CASPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{benzene_exFCI_6-31+G(d).dat => benzene_exFCI_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{benzene_exFCI_aug-cc-pVDZ.dat => benzene_exFCI_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{benzene_exFCI_aug-cc-pVQZ.dat => benzene_exFCI_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{benzene_exFCI_aug-cc-pVTZ.dat => benzene_exFCI_aug-cc-pVTZ_double.dat} (100%)
 create mode 100644 static/data/abs/benzene_exFCI_double.dat
 rename static/data/abs/{beryllium_CASPT2_6-31+G(d).dat => beryllium_CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{beryllium_CASPT2_aug-cc-pVDZ.dat => beryllium_CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{beryllium_CASPT2_aug-cc-pVQZ.dat => beryllium_CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{beryllium_CASPT2_aug-cc-pVTZ.dat => beryllium_CASPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{beryllium_CC3_6-31+G(d).dat => beryllium_CC3_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{beryllium_CC3_aug-cc-pVDZ.dat => beryllium_CC3_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{beryllium_CC3_aug-cc-pVQZ.dat => beryllium_CC3_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{beryllium_CC3_aug-cc-pVTZ.dat => beryllium_CC3_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{beryllium_CCSDTQ_6-31+G(d).dat => beryllium_CCSDTQ_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{beryllium_CCSDTQ_aug-cc-pVDZ.dat => beryllium_CCSDTQ_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{beryllium_CCSDTQ_aug-cc-pVQZ.dat => beryllium_CCSDTQ_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{beryllium_CCSDTQ_aug-cc-pVTZ.dat => beryllium_CCSDTQ_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{beryllium_CCSDT_6-31+G(d).dat => beryllium_CCSDT_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{beryllium_CCSDT_aug-cc-pVDZ.dat => beryllium_CCSDT_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{beryllium_CCSDT_aug-cc-pVQZ.dat => beryllium_CCSDT_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{beryllium_CCSDT_aug-cc-pVTZ.dat => beryllium_CCSDT_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{beryllium_NEVPT2_6-31+G(d).dat => beryllium_NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{beryllium_NEVPT2_aug-cc-pVDZ.dat => beryllium_NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{beryllium_NEVPT2_aug-cc-pVQZ.dat => beryllium_NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{beryllium_NEVPT2_aug-cc-pVTZ.dat => beryllium_NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{beryllium_exFCI_6-31+G(d).dat => beryllium_exFCI_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{beryllium_exFCI_aug-cc-pVDZ.dat => beryllium_exFCI_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{beryllium_exFCI_aug-cc-pVQZ.dat => beryllium_exFCI_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{beryllium_exFCI_aug-cc-pVTZ.dat => beryllium_exFCI_aug-cc-pVTZ_double.dat} (100%)
 create mode 100644 static/data/abs/beryllium_exFCI_double.dat
 rename static/data/abs/{butadiene_CASPT2_6-31+G(d).dat => butadiene_CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{butadiene_CASPT2_aug-cc-pVDZ.dat => butadiene_CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{butadiene_CASPT2_aug-cc-pVQZ.dat => butadiene_CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{butadiene_CASPT2_aug-cc-pVTZ.dat => butadiene_CASPT2_aug-cc-pVTZ_double.dat} (100%)
 create mode 100644 static/data/abs/butadiene_CC3_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/butadiene_CC3_aug-cc-pVDZ_double.dat
 rename static/data/abs/{butadiene_CC3_aug-cc-pVQZ.dat => butadiene_CC3_aug-cc-pVQZ_double.dat} (100%)
 create mode 100644 static/data/abs/butadiene_CC3_aug-cc-pVTZ_double.dat
 create mode 100644 static/data/abs/butadiene_CCSDT_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/butadiene_CCSDT_aug-cc-pVDZ_double.dat
 rename static/data/abs/{butadiene_PC-NEVPT2_6-31+G(d).dat => butadiene_PC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{butadiene_PC-NEVPT2_aug-cc-pVDZ.dat => butadiene_PC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{butadiene_PC-NEVPT2_aug-cc-pVQZ.dat => butadiene_PC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{butadiene_PC-NEVPT2_aug-cc-pVTZ.dat => butadiene_PC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{butadiene_SC-NEVPT2_6-31+G(d).dat => butadiene_SC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{butadiene_SC-NEVPT2_aug-cc-pVDZ.dat => butadiene_SC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{butadiene_SC-NEVPT2_aug-cc-pVQZ.dat => butadiene_SC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{butadiene_SC-NEVPT2_aug-cc-pVTZ.dat => butadiene_SC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{butadiene_exFCI_6-31+G(d).dat => butadiene_exFCI_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{butadiene_exFCI_aug-cc-pVDZ.dat => butadiene_exFCI_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{butadiene_exFCI_aug-cc-pVQZ.dat => butadiene_exFCI_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{butadiene_exFCI_aug-cc-pVTZ.dat => butadiene_exFCI_aug-cc-pVTZ_double.dat} (100%)
 create mode 100644 static/data/abs/butadiene_exFCI_double.dat
 rename static/data/abs/{carbon_dimer_CASPT2_6-31+G(d).dat => carbon_dimer_CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_CASPT2_aug-cc-pVDZ.dat => carbon_dimer_CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_CASPT2_aug-cc-pVQZ.dat => carbon_dimer_CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_CASPT2_aug-cc-pVTZ.dat => carbon_dimer_CASPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_CC3_6-31+G(d).dat => carbon_dimer_CC3_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_CC3_aug-cc-pVDZ.dat => carbon_dimer_CC3_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_CC3_aug-cc-pVQZ.dat => carbon_dimer_CC3_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_CC3_aug-cc-pVTZ.dat => carbon_dimer_CC3_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_CCSDTQP_6-31+G(d).dat => carbon_dimer_CCSDTQP_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_CCSDTQP_aug-cc-pVDZ.dat => carbon_dimer_CCSDTQP_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_CCSDTQ_6-31+G(d).dat => carbon_dimer_CCSDTQ_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_CCSDTQ_aug-cc-pVDZ.dat => carbon_dimer_CCSDTQ_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_CCSDTQ_aug-cc-pVTZ.dat => carbon_dimer_CCSDTQ_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_CCSDT_6-31+G(d).dat => carbon_dimer_CCSDT_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_CCSDT_aug-cc-pVDZ.dat => carbon_dimer_CCSDT_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_CCSDT_aug-cc-pVQZ.dat => carbon_dimer_CCSDT_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_CCSDT_aug-cc-pVTZ.dat => carbon_dimer_CCSDT_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_PC-NEVPT2_6-31+G(d).dat => carbon_dimer_PC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_PC-NEVPT2_aug-cc-pVDZ.dat => carbon_dimer_PC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_PC-NEVPT2_aug-cc-pVQZ.dat => carbon_dimer_PC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_PC-NEVPT2_aug-cc-pVTZ.dat => carbon_dimer_PC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_SC-NEVPT2_6-31+G(d).dat => carbon_dimer_SC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_SC-NEVPT2_aug-cc-pVDZ.dat => carbon_dimer_SC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_SC-NEVPT2_aug-cc-pVQZ.dat => carbon_dimer_SC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_SC-NEVPT2_aug-cc-pVTZ.dat => carbon_dimer_SC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_exFCI_6-31+G(d).dat => carbon_dimer_exFCI_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_exFCI_aug-cc-pVDZ.dat => carbon_dimer_exFCI_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_exFCI_aug-cc-pVQZ.dat => carbon_dimer_exFCI_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{carbon_dimer_exFCI_aug-cc-pVTZ.dat => carbon_dimer_exFCI_aug-cc-pVTZ_double.dat} (100%)
 create mode 100644 static/data/abs/carbon_dimer_exFCI_double.dat
 rename static/data/abs/{carbon_trimer_CASPT2_6-31+G(d).dat => carbon_trimer_CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_CASPT2_aug-cc-pVDZ.dat => carbon_trimer_CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_CASPT2_aug-cc-pVQZ.dat => carbon_trimer_CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_CASPT2_aug-cc-pVTZ.dat => carbon_trimer_CASPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_CC3_6-31+G(d).dat => carbon_trimer_CC3_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_CC3_aug-cc-pVDZ.dat => carbon_trimer_CC3_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_CC3_aug-cc-pVQZ.dat => carbon_trimer_CC3_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_CC3_aug-cc-pVTZ.dat => carbon_trimer_CC3_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_CCSDTQ_6-31+G(d).dat => carbon_trimer_CCSDTQ_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_CCSDTQ_aug-cc-pVDZ.dat => carbon_trimer_CCSDTQ_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_CCSDT_6-31+G(d).dat => carbon_trimer_CCSDT_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_CCSDT_aug-cc-pVDZ.dat => carbon_trimer_CCSDT_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_CCSDT_aug-cc-pVQZ.dat => carbon_trimer_CCSDT_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_CCSDT_aug-cc-pVTZ.dat => carbon_trimer_CCSDT_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_PC-NEVPT2_6-31+G(d).dat => carbon_trimer_PC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_PC-NEVPT2_aug-cc-pVDZ.dat => carbon_trimer_PC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_PC-NEVPT2_aug-cc-pVQZ.dat => carbon_trimer_PC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_PC-NEVPT2_aug-cc-pVTZ.dat => carbon_trimer_PC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_SC-NEVPT2_6-31+G(d).dat => carbon_trimer_SC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_SC-NEVPT2_aug-cc-pVDZ.dat => carbon_trimer_SC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_SC-NEVPT2_aug-cc-pVQZ.dat => carbon_trimer_SC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_SC-NEVPT2_aug-cc-pVTZ.dat => carbon_trimer_SC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_exFCI_6-31+G(d).dat => carbon_trimer_exFCI_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_exFCI_aug-cc-pVDZ.dat => carbon_trimer_exFCI_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_exFCI_aug-cc-pVQZ.dat => carbon_trimer_exFCI_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{carbon_trimer_exFCI_aug-cc-pVTZ.dat => carbon_trimer_exFCI_aug-cc-pVTZ_double.dat} (100%)
 create mode 100644 static/data/abs/carbon_trimer_exFCI_double.dat
 rename static/data/abs/{ethylene_CASPT2_6-31+G(d).dat => ethylene_CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{ethylene_CASPT2_aug-cc-pVDZ.dat => ethylene_CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{ethylene_CASPT2_aug-cc-pVQZ.dat => ethylene_CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{ethylene_CASPT2_aug-cc-pVTZ.dat => ethylene_CASPT2_aug-cc-pVTZ_double.dat} (100%)
 create mode 100644 static/data/abs/ethylene_CC3_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/ethylene_CC3_aug-cc-pVDZ_double.dat
 rename static/data/abs/{ethylene_CC3_aug-cc-pVQZ.dat => ethylene_CC3_aug-cc-pVQZ_double.dat} (100%)
 create mode 100644 static/data/abs/ethylene_CC3_aug-cc-pVTZ_double.dat
 rename static/data/abs/{ethylene_CCSDTQP_6-31+G(d).dat => ethylene_CCSDTQP_6-31+G(d)_double.dat} (100%)
 create mode 100644 static/data/abs/ethylene_CCSDTQ_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/ethylene_CCSDTQ_aug-cc-pVDZ_double.dat
 create mode 100644 static/data/abs/ethylene_CCSDT_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/ethylene_CCSDT_aug-cc-pVDZ_double.dat
 rename static/data/abs/{ethylene_MS-CASPT2_6-31+G(d).dat => ethylene_MS-CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{ethylene_MS-CASPT2_aug-cc-pVDZ.dat => ethylene_MS-CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{ethylene_MS-CASPT2_aug-cc-pVQZ.dat => ethylene_MS-CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{ethylene_MS-CASPT2_aug-cc-pVTZ.dat => ethylene_MS-CASPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{ethylene_PC-NEVPT2_6-31+G(d).dat => ethylene_PC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{ethylene_PC-NEVPT2_aug-cc-pVDZ.dat => ethylene_PC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{ethylene_PC-NEVPT2_aug-cc-pVQZ.dat => ethylene_PC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{ethylene_PC-NEVPT2_aug-cc-pVTZ.dat => ethylene_PC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{ethylene_SC-NEVPT2_6-31+G(d).dat => ethylene_SC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{ethylene_SC-NEVPT2_aug-cc-pVDZ.dat => ethylene_SC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{ethylene_SC-NEVPT2_aug-cc-pVQZ.dat => ethylene_SC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{ethylene_SC-NEVPT2_aug-cc-pVTZ.dat => ethylene_SC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{ethylene_XMS-CASPT2_6-31+G(d).dat => ethylene_XMS-CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{ethylene_XMS-CASPT2_aug-cc-pVDZ.dat => ethylene_XMS-CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{ethylene_XMS-CASPT2_aug-cc-pVQZ.dat => ethylene_XMS-CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{ethylene_XMS-CASPT2_aug-cc-pVTZ.dat => ethylene_XMS-CASPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{ethylene_exFCI_6-31+G(d).dat => ethylene_exFCI_6-31+G(d)_double.dat} (100%)
 create mode 100644 static/data/abs/ethylene_exFCI_aug-cc-pVDZ_double.dat
 create mode 100644 static/data/abs/ethylene_exFCI_aug-cc-pVTZ_double.dat
 create mode 100644 static/data/abs/ethylene_exFCI_double.dat
 rename static/data/abs/{formaldehyde_CASPT2_6-31+G(d).dat => formaldehyde_CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{formaldehyde_CASPT2_aug-cc-pVDZ.dat => formaldehyde_CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{formaldehyde_CASPT2_aug-cc-pVQZ.dat => formaldehyde_CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{formaldehyde_CASPT2_aug-cc-pVTZ.dat => formaldehyde_CASPT2_aug-cc-pVTZ_double.dat} (100%)
 create mode 100644 static/data/abs/formaldehyde_CC3_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/formaldehyde_CC3_aug-cc-pVDZ_double.dat
 rename static/data/abs/{formaldehyde_CC3_aug-cc-pVQZ.dat => formaldehyde_CC3_aug-cc-pVQZ_double.dat} (100%)
 create mode 100644 static/data/abs/formaldehyde_CC3_aug-cc-pVTZ_double.dat
 rename static/data/abs/{formaldehyde_CCSDTQP_6-31+G(d).dat => formaldehyde_CCSDTQP_6-31+G(d)_double.dat} (100%)
 create mode 100644 static/data/abs/formaldehyde_CCSDTQ_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/formaldehyde_CCSDTQ_aug-cc-pVDZ_double.dat
 create mode 100644 static/data/abs/formaldehyde_CCSDT_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/formaldehyde_CCSDT_aug-cc-pVDZ_double.dat
 rename static/data/abs/{formaldehyde_CCSDT_aug-cc-pVQZ.dat => formaldehyde_CCSDT_aug-cc-pVQZ_double.dat} (100%)
 create mode 100644 static/data/abs/formaldehyde_CCSDT_aug-cc-pVTZ_double.dat
 rename static/data/abs/{formaldehyde_MS-CASPT2_6-31+G(d).dat => formaldehyde_MS-CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{formaldehyde_MS-CASPT2_aug-cc-pVDZ.dat => formaldehyde_MS-CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{formaldehyde_MS-CASPT2_aug-cc-pVQZ.dat => formaldehyde_MS-CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{formaldehyde_MS-CASPT2_aug-cc-pVTZ.dat => formaldehyde_MS-CASPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{formaldehyde_PC-NEVPT2_6-31+G(d).dat => formaldehyde_PC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{formaldehyde_PC-NEVPT2_aug-cc-pVDZ.dat => formaldehyde_PC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{formaldehyde_PC-NEVPT2_aug-cc-pVQZ.dat => formaldehyde_PC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{formaldehyde_PC-NEVPT2_aug-cc-pVTZ.dat => formaldehyde_PC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{formaldehyde_SC-NEVPT2_6-31+G(d).dat => formaldehyde_SC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{formaldehyde_SC-NEVPT2_aug-cc-pVDZ.dat => formaldehyde_SC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{formaldehyde_SC-NEVPT2_aug-cc-pVQZ.dat => formaldehyde_SC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{formaldehyde_SC-NEVPT2_aug-cc-pVTZ.dat => formaldehyde_SC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{formaldehyde_XMS-CASPT2_6-31+G(d).dat => formaldehyde_XMS-CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{formaldehyde_XMS-CASPT2_aug-cc-pVDZ.dat => formaldehyde_XMS-CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{formaldehyde_XMS-CASPT2_aug-cc-pVQZ.dat => formaldehyde_XMS-CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{formaldehyde_XMS-CASPT2_aug-cc-pVTZ.dat => formaldehyde_XMS-CASPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{formaldehyde_exFCI_6-31+G(d).dat => formaldehyde_exFCI_6-31+G(d)_double.dat} (100%)
 create mode 100644 static/data/abs/formaldehyde_exFCI_aug-cc-pVDZ_double.dat
 create mode 100644 static/data/abs/formaldehyde_exFCI_aug-cc-pVTZ_double.dat
 create mode 100644 static/data/abs/formaldehyde_exFCI_double.dat
 rename static/data/abs/{glyoxal_CASPT2_6-31+G(d).dat => glyoxal_CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{glyoxal_CASPT2_aug-cc-pVDZ.dat => glyoxal_CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{glyoxal_CASPT2_aug-cc-pVQZ.dat => glyoxal_CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{glyoxal_CASPT2_aug-cc-pVTZ.dat => glyoxal_CASPT2_aug-cc-pVTZ_double.dat} (100%)
 create mode 100644 static/data/abs/glyoxal_CC3_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/glyoxal_CC3_aug-cc-pVDZ_double.dat
 rename static/data/abs/{glyoxal_CC3_aug-cc-pVQZ.dat => glyoxal_CC3_aug-cc-pVQZ_double.dat} (100%)
 create mode 100644 static/data/abs/glyoxal_CC3_aug-cc-pVTZ_double.dat
 create mode 100644 static/data/abs/glyoxal_CC3_double.dat
 create mode 100644 static/data/abs/glyoxal_CCSDT_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/glyoxal_CCSDT_aug-cc-pVDZ_double.dat
 create mode 100644 static/data/abs/glyoxal_CCSDT_aug-cc-pVTZ_double.dat
 rename static/data/abs/{glyoxal_PC-NEVPT2_6-31+G(d).dat => glyoxal_PC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{glyoxal_PC-NEVPT2_aug-cc-pVDZ.dat => glyoxal_PC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{glyoxal_PC-NEVPT2_aug-cc-pVQZ.dat => glyoxal_PC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{glyoxal_PC-NEVPT2_aug-cc-pVTZ.dat => glyoxal_PC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{glyoxal_SC-NEVPT2_6-31+G(d).dat => glyoxal_SC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{glyoxal_SC-NEVPT2_aug-cc-pVDZ.dat => glyoxal_SC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{glyoxal_SC-NEVPT2_aug-cc-pVQZ.dat => glyoxal_SC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{glyoxal_SC-NEVPT2_aug-cc-pVTZ.dat => glyoxal_SC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{glyoxal_exFCI_6-31+G(d).dat => glyoxal_exFCI_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{glyoxal_exFCI_aug-cc-pVDZ.dat => glyoxal_exFCI_aug-cc-pVDZ_double.dat} (100%)
 create mode 100644 static/data/abs/glyoxal_exFCI_double.dat
 rename static/data/abs/{hexatriene_CASPT2_6-31+G(d).dat => hexatriene_CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{hexatriene_CASPT2_aug-cc-pVDZ.dat => hexatriene_CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{hexatriene_CASPT2_aug-cc-pVQZ.dat => hexatriene_CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{hexatriene_CASPT2_aug-cc-pVTZ.dat => hexatriene_CASPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{hexatriene_CC3_6-31+G(d).dat => hexatriene_CC3_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{hexatriene_CC3_aug-cc-pVDZ.dat => hexatriene_CC3_aug-cc-pVDZ_double.dat} (100%)
 create mode 100644 static/data/abs/hexatriene_CC3_double.dat
 rename static/data/abs/{hexatriene_CCSDT_6-31+G(d).dat => hexatriene_CCSDT_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{hexatriene_PC-NEVPT2_6-31+G(d).dat => hexatriene_PC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{hexatriene_PC-NEVPT2_aug-cc-pVDZ.dat => hexatriene_PC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{hexatriene_PC-NEVPT2_aug-cc-pVQZ.dat => hexatriene_PC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{hexatriene_PC-NEVPT2_aug-cc-pVTZ.dat => hexatriene_PC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{hexatriene_SC-NEVPT2_6-31+G(d).dat => hexatriene_SC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{hexatriene_SC-NEVPT2_aug-cc-pVDZ.dat => hexatriene_SC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{hexatriene_SC-NEVPT2_aug-cc-pVQZ.dat => hexatriene_SC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{hexatriene_SC-NEVPT2_aug-cc-pVTZ.dat => hexatriene_SC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{hexatriene_exFCI_6-31+G(d).dat => hexatriene_exFCI_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{hexatriene_exFCI_aug-cc-pVDZ.dat => hexatriene_exFCI_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{hexatriene_exFCI_aug-cc-pVTZ.dat => hexatriene_exFCI_aug-cc-pVTZ_double.dat} (100%)
 create mode 100644 static/data/abs/hexatriene_exFCI_double.dat
 rename static/data/abs/{nitrosomethane_CASPT2_6-31+G(d).dat => nitrosomethane_CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{nitrosomethane_CASPT2_aug-cc-pVDZ.dat => nitrosomethane_CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{nitrosomethane_CASPT2_aug-cc-pVQZ.dat => nitrosomethane_CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{nitrosomethane_CASPT2_aug-cc-pVTZ.dat => nitrosomethane_CASPT2_aug-cc-pVTZ_double.dat} (100%)
 create mode 100644 static/data/abs/nitrosomethane_CC3_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/nitrosomethane_CC3_aug-cc-pVDZ_double.dat
 rename static/data/abs/{nitrosomethane_CC3_aug-cc-pVQZ.dat => nitrosomethane_CC3_aug-cc-pVQZ_double.dat} (100%)
 create mode 100644 static/data/abs/nitrosomethane_CC3_aug-cc-pVTZ_double.dat
 create mode 100644 static/data/abs/nitrosomethane_CCSDT_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/nitrosomethane_CCSDT_aug-cc-pVDZ_double.dat
 create mode 100644 static/data/abs/nitrosomethane_CCSDT_aug-cc-pVTZ_double.dat
 rename static/data/abs/{nitrosomethane_PC-NEVPT2_6-31+G(d).dat => nitrosomethane_PC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{nitrosomethane_PC-NEVPT2_aug-cc-pVDZ.dat => nitrosomethane_PC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{nitrosomethane_PC-NEVPT2_aug-cc-pVQZ.dat => nitrosomethane_PC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{nitrosomethane_PC-NEVPT2_aug-cc-pVTZ.dat => nitrosomethane_PC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{nitrosomethane_SC-NEVPT2_6-31+G(d).dat => nitrosomethane_SC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{nitrosomethane_SC-NEVPT2_aug-cc-pVDZ.dat => nitrosomethane_SC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{nitrosomethane_SC-NEVPT2_aug-cc-pVQZ.dat => nitrosomethane_SC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{nitrosomethane_SC-NEVPT2_aug-cc-pVTZ.dat => nitrosomethane_SC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{nitrosomethane_exFCI_6-31+G(d).dat => nitrosomethane_exFCI_6-31+G(d)_double.dat} (100%)
 create mode 100644 static/data/abs/nitrosomethane_exFCI_aug-cc-pVDZ_double.dat
 rename static/data/abs/{nitrosomethane_exFCI_aug-cc-pVQZ.dat => nitrosomethane_exFCI_aug-cc-pVQZ_double.dat} (100%)
 create mode 100644 static/data/abs/nitrosomethane_exFCI_aug-cc-pVTZ_double.dat
 create mode 100644 static/data/abs/nitrosomethane_exFCI_double.dat
 rename static/data/abs/{nitroxyl_CASPT2_6-31+G(d).dat => nitroxyl_CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{nitroxyl_CASPT2_aug-cc-pVDZ.dat => nitroxyl_CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_CASPT2_aug-cc-pVQZ.dat => nitroxyl_CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_CASPT2_aug-cc-pVTZ.dat => nitroxyl_CASPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_CC3_6-31+G(d).dat => nitroxyl_CC3_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{nitroxyl_CC3_aug-cc-pVDZ.dat => nitroxyl_CC3_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_CC3_aug-cc-pVQZ.dat => nitroxyl_CC3_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_CC3_aug-cc-pVTZ.dat => nitroxyl_CC3_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_CCSDTQP_6-31+G(d).dat => nitroxyl_CCSDTQP_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{nitroxyl_CCSDTQ_6-31+G(d).dat => nitroxyl_CCSDTQ_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{nitroxyl_CCSDTQ_aug-cc-pVDZ.dat => nitroxyl_CCSDTQ_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_CCSDT_6-31+G(d).dat => nitroxyl_CCSDT_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{nitroxyl_CCSDT_aug-cc-pVDZ.dat => nitroxyl_CCSDT_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_CCSDT_aug-cc-pVQZ.dat => nitroxyl_CCSDT_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_CCSDT_aug-cc-pVTZ.dat => nitroxyl_CCSDT_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_PC-NEVPT2_6-31+G(d).dat => nitroxyl_PC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{nitroxyl_PC-NEVPT2_aug-cc-pVDZ.dat => nitroxyl_PC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_PC-NEVPT2_aug-cc-pVQZ.dat => nitroxyl_PC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_PC-NEVPT2_aug-cc-pVTZ.dat => nitroxyl_PC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_SC-NEVPT2_6-31+G(d).dat => nitroxyl_SC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{nitroxyl_SC-NEVPT2_aug-cc-pVDZ.dat => nitroxyl_SC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_SC-NEVPT2_aug-cc-pVQZ.dat => nitroxyl_SC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_SC-NEVPT2_aug-cc-pVTZ.dat => nitroxyl_SC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_exFCI_6-31+G(d).dat => nitroxyl_exFCI_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{nitroxyl_exFCI_aug-cc-pVDZ.dat => nitroxyl_exFCI_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_exFCI_aug-cc-pVQZ.dat => nitroxyl_exFCI_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{nitroxyl_exFCI_aug-cc-pVTZ.dat => nitroxyl_exFCI_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{pyrazine_CASPT2_6-31+G(d).dat => pyrazine_CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{pyrazine_CASPT2_aug-cc-pVDZ.dat => pyrazine_CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{pyrazine_CASPT2_aug-cc-pVQZ.dat => pyrazine_CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{pyrazine_CASPT2_aug-cc-pVTZ.dat => pyrazine_CASPT2_aug-cc-pVTZ_double.dat} (100%)
 create mode 100644 static/data/abs/pyrazine_CC3_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/pyrazine_CC3_aug-cc-pVDZ_double.dat
 create mode 100644 static/data/abs/pyrazine_CC3_aug-cc-pVTZ_double.dat
 create mode 100644 static/data/abs/pyrazine_CCSDT_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/pyrazine_CCSDT_aug-cc-pVDZ_double.dat
 create mode 100644 static/data/abs/pyrazine_CCSDT_double.dat
 rename static/data/abs/{pyrazine_PC-NEVPT2_6-31+G(d).dat => pyrazine_PC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{pyrazine_PC-NEVPT2_aug-cc-pVDZ.dat => pyrazine_PC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{pyrazine_PC-NEVPT2_aug-cc-pVQZ.dat => pyrazine_PC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{pyrazine_PC-NEVPT2_aug-cc-pVTZ.dat => pyrazine_PC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{pyrazine_SC-NEVPT2_6-31+G(d).dat => pyrazine_SC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{pyrazine_SC-NEVPT2_aug-cc-pVDZ.dat => pyrazine_SC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{pyrazine_SC-NEVPT2_aug-cc-pVQZ.dat => pyrazine_SC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{pyrazine_SC-NEVPT2_aug-cc-pVTZ.dat => pyrazine_SC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{tetrazine_CASPT2_6-31+G(d).dat => tetrazine_CASPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{tetrazine_CASPT2_aug-cc-pVDZ.dat => tetrazine_CASPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{tetrazine_CASPT2_aug-cc-pVQZ.dat => tetrazine_CASPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{tetrazine_CASPT2_aug-cc-pVTZ.dat => tetrazine_CASPT2_aug-cc-pVTZ_double.dat} (100%)
 create mode 100644 static/data/abs/tetrazine_CC3_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/tetrazine_CC3_aug-cc-pVDZ_double.dat
 rename static/data/abs/{tetrazine_CC3_aug-cc-pVQZ.dat => tetrazine_CC3_aug-cc-pVQZ_double.dat} (100%)
 create mode 100644 static/data/abs/tetrazine_CC3_aug-cc-pVTZ_double.dat
 create mode 100644 static/data/abs/tetrazine_CC3_double.dat
 create mode 100644 static/data/abs/tetrazine_CCSDT_6-31+G(d)_double.dat
 create mode 100644 static/data/abs/tetrazine_CCSDT_aug-cc-pVDZ_double.dat
 create mode 100644 static/data/abs/tetrazine_CCSDT_double.dat
 rename static/data/abs/{tetrazine_PC-NEVPT2_6-31+G(d).dat => tetrazine_PC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{tetrazine_PC-NEVPT2_aug-cc-pVDZ.dat => tetrazine_PC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{tetrazine_PC-NEVPT2_aug-cc-pVQZ.dat => tetrazine_PC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{tetrazine_PC-NEVPT2_aug-cc-pVTZ.dat => tetrazine_PC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)
 rename static/data/abs/{tetrazine_SC-NEVPT2_6-31+G(d).dat => tetrazine_SC-NEVPT2_6-31+G(d)_double.dat} (100%)
 rename static/data/abs/{tetrazine_SC-NEVPT2_aug-cc-pVDZ.dat => tetrazine_SC-NEVPT2_aug-cc-pVDZ_double.dat} (100%)
 rename static/data/abs/{tetrazine_SC-NEVPT2_aug-cc-pVQZ.dat => tetrazine_SC-NEVPT2_aug-cc-pVQZ_double.dat} (100%)
 rename static/data/abs/{tetrazine_SC-NEVPT2_aug-cc-pVTZ.dat => tetrazine_SC-NEVPT2_aug-cc-pVTZ_double.dat} (100%)

diff --git a/static/data/abs/acrolein_CASPT2_6-31+G(d).dat b/static/data/abs/acrolein_CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/acrolein_CASPT2_6-31+G(d).dat
rename to static/data/abs/acrolein_CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/acrolein_CASPT2_aug-cc-pVDZ.dat b/static/data/abs/acrolein_CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/acrolein_CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/acrolein_CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/acrolein_CASPT2_aug-cc-pVQZ.dat b/static/data/abs/acrolein_CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/acrolein_CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/acrolein_CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/acrolein_CASPT2_aug-cc-pVTZ.dat b/static/data/abs/acrolein_CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/acrolein_CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/acrolein_CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/acrolein_CC3_6-31+G(d)_double.dat b/static/data/abs/acrolein_CC3_6-31+G(d)_double.dat
new file mode 100644
index 00000000..4f9f5016
--- /dev/null
+++ b/static/data/abs/acrolein_CC3_6-31+G(d)_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Acrolein
+# Comment  : 
+# code     : 
+# method   : CC3,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   3       1     A^\prime     (\pi,\pi \rightarrow \pi^\star,\pi^\star) 8.21          73             _            false
diff --git a/static/data/abs/acrolein_CC3_aug-cc-pVDZ_double.dat b/static/data/abs/acrolein_CC3_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..bb3c8c40
--- /dev/null
+++ b/static/data/abs/acrolein_CC3_aug-cc-pVDZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Acrolein
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   3       1     A^\prime     (\pi,\pi \rightarrow \pi^\star,\pi^\star) 8.11          75             _            false
diff --git a/static/data/abs/acrolein_CC3_aug-cc-pVTZ_double.dat b/static/data/abs/acrolein_CC3_aug-cc-pVTZ_double.dat
new file mode 100644
index 00000000..b203edc8
--- /dev/null
+++ b/static/data/abs/acrolein_CC3_aug-cc-pVTZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Acrolein
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVTZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   3       1     A^\prime     (\pi,\pi \rightarrow \pi^\star,\pi^\star) 8.08          75             _            false
diff --git a/static/data/abs/acrolein_MS-CASPT2_6-31+G(d).dat b/static/data/abs/acrolein_MS-CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/acrolein_MS-CASPT2_6-31+G(d).dat
rename to static/data/abs/acrolein_MS-CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/acrolein_MS-CASPT2_aug-cc-pVDZ.dat b/static/data/abs/acrolein_MS-CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/acrolein_MS-CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/acrolein_MS-CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/acrolein_MS-CASPT2_aug-cc-pVQZ.dat b/static/data/abs/acrolein_MS-CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/acrolein_MS-CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/acrolein_MS-CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/acrolein_MS-CASPT2_aug-cc-pVTZ.dat b/static/data/abs/acrolein_MS-CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/acrolein_MS-CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/acrolein_MS-CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/acrolein_PC-NEVPT2_6-31+G(d).dat b/static/data/abs/acrolein_PC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/acrolein_PC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/acrolein_PC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/acrolein_PC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/acrolein_PC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/acrolein_PC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/acrolein_PC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/acrolein_PC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/acrolein_PC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/acrolein_PC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/acrolein_PC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/acrolein_PC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/acrolein_PC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/acrolein_PC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/acrolein_PC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/acrolein_SC-NEVPT2_6-31+G(d).dat b/static/data/abs/acrolein_SC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/acrolein_SC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/acrolein_SC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/acrolein_SC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/acrolein_SC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/acrolein_SC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/acrolein_SC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/acrolein_SC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/acrolein_SC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/acrolein_SC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/acrolein_SC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/acrolein_SC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/acrolein_SC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/acrolein_SC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/acrolein_SC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/acrolein_XMS-CASPT2_6-31+G(d).dat b/static/data/abs/acrolein_XMS-CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/acrolein_XMS-CASPT2_6-31+G(d).dat
rename to static/data/abs/acrolein_XMS-CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/acrolein_XMS-CASPT2_aug-cc-pVDZ.dat b/static/data/abs/acrolein_XMS-CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/acrolein_XMS-CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/acrolein_XMS-CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/acrolein_XMS-CASPT2_aug-cc-pVQZ.dat b/static/data/abs/acrolein_XMS-CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/acrolein_XMS-CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/acrolein_XMS-CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/acrolein_XMS-CASPT2_aug-cc-pVTZ.dat b/static/data/abs/acrolein_XMS-CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/acrolein_XMS-CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/acrolein_XMS-CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/acrolein_exFCI_6-31+G(d).dat b/static/data/abs/acrolein_exFCI_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/acrolein_exFCI_6-31+G(d).dat
rename to static/data/abs/acrolein_exFCI_6-31+G(d)_double.dat
diff --git a/static/data/abs/acrolein_exFCI_double.dat b/static/data/abs/acrolein_exFCI_double.dat
new file mode 100644
index 00000000..5921bbd4
--- /dev/null
+++ b/static/data/abs/acrolein_exFCI_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Acrolein
+# Comment  : 
+# code     : 
+# method   : exFCI
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   3       1     A^\prime     (\pi,\pi \rightarrow \pi^\star,\pi^\star) 8.16          _              _            false
+  1       1     A^\prime   3       1     A^\prime     (\pi,\pi \rightarrow \pi^\star,\pi^\star) 8.41          _              _            false
diff --git a/static/data/abs/benzene_CASPT2_6-31+G(d).dat b/static/data/abs/benzene_CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/benzene_CASPT2_6-31+G(d).dat
rename to static/data/abs/benzene_CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/benzene_CASPT2_aug-cc-pVDZ.dat b/static/data/abs/benzene_CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/benzene_CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/benzene_CASPT2_aug-cc-pVQZ.dat b/static/data/abs/benzene_CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/benzene_CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/benzene_CASPT2_aug-cc-pVTZ.dat b/static/data/abs/benzene_CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/benzene_CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/benzene_CASPT2_double.dat b/static/data/abs/benzene_CASPT2_double.dat
new file mode 100644
index 00000000..574c1e3f
--- /dev/null
+++ b/static/data/abs/benzene_CASPT2_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Benzene
+# Comment  : 
+# code     : 
+# method   : CASPT2
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_{1g}     2       1     A_{1g}       (\pi,\pi \rightarrow \pi^\star,\pi^\star) 10.20         _              _            false
diff --git a/static/data/abs/benzene_CC3_6-31+G(d)_double.dat b/static/data/abs/benzene_CC3_6-31+G(d)_double.dat
new file mode 100644
index 00000000..3a1ba369
--- /dev/null
+++ b/static/data/abs/benzene_CC3_6-31+G(d)_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Benzene
+# Comment  : 
+# code     : 
+# method   : CC3,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_{1g}     1       1     E_{2g}       (\pi,\pi \rightarrow \pi^\star,\pi^\star) 8.50          72             _            false
diff --git a/static/data/abs/benzene_CC3_aug-cc-pVDZ_double.dat b/static/data/abs/benzene_CC3_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..4039f2eb
--- /dev/null
+++ b/static/data/abs/benzene_CC3_aug-cc-pVDZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Benzene
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_{1g}     1       1     E_{2g}       (\pi,\pi \rightarrow \pi^\star,\pi^\star) 8.44          72             _            false
diff --git a/static/data/abs/benzene_CC3_aug-cc-pVTZ_double.dat b/static/data/abs/benzene_CC3_aug-cc-pVTZ_double.dat
new file mode 100644
index 00000000..25f74bc9
--- /dev/null
+++ b/static/data/abs/benzene_CC3_aug-cc-pVTZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Benzene
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVTZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_{1g}     1       1     E_{2g}       (\pi,\pi \rightarrow \pi^\star,\pi^\star) 8.38          73             _            false
diff --git a/static/data/abs/benzene_CCSDT_6-31+G(d)_double.dat b/static/data/abs/benzene_CCSDT_6-31+G(d)_double.dat
new file mode 100644
index 00000000..9c616919
--- /dev/null
+++ b/static/data/abs/benzene_CCSDT_6-31+G(d)_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Benzene
+# Comment  : 
+# code     : 
+# method   : CCSDT,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_{1g}     1       1     E_{2g}       (\pi,\pi \rightarrow \pi^\star,\pi^\star) 8.42          _              _            false
diff --git a/static/data/abs/benzene_CCSDT_aug-cc-pVDZ_double.dat b/static/data/abs/benzene_CCSDT_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..c6503ae7
--- /dev/null
+++ b/static/data/abs/benzene_CCSDT_aug-cc-pVDZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Benzene
+# Comment  : 
+# code     : 
+# method   : CCSDT,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_{1g}     1       1     E_{2g}       (\pi,\pi \rightarrow \pi^\star,\pi^\star) 8.38          _              _            false
diff --git a/static/data/abs/benzene_MS-CASPT2_6-31+G(d).dat b/static/data/abs/benzene_MS-CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/benzene_MS-CASPT2_6-31+G(d).dat
rename to static/data/abs/benzene_MS-CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/benzene_MS-CASPT2_aug-cc-pVDZ.dat b/static/data/abs/benzene_MS-CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_MS-CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/benzene_MS-CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/benzene_MS-CASPT2_aug-cc-pVQZ.dat b/static/data/abs/benzene_MS-CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_MS-CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/benzene_MS-CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/benzene_MS-CASPT2_aug-cc-pVTZ.dat b/static/data/abs/benzene_MS-CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_MS-CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/benzene_MS-CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/benzene_PC-NEVPT2_6-31+G(d).dat b/static/data/abs/benzene_PC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/benzene_PC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/benzene_PC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/benzene_PC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/benzene_PC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_PC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/benzene_PC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/benzene_PC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/benzene_PC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_PC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/benzene_PC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/benzene_PC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/benzene_PC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_PC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/benzene_PC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/benzene_SC-NEVPT2_6-31+G(d).dat b/static/data/abs/benzene_SC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/benzene_SC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/benzene_SC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/benzene_SC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/benzene_SC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_SC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/benzene_SC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/benzene_SC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/benzene_SC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_SC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/benzene_SC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/benzene_SC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/benzene_SC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_SC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/benzene_SC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/benzene_XMS-CASPT2_6-31+G(d).dat b/static/data/abs/benzene_XMS-CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/benzene_XMS-CASPT2_6-31+G(d).dat
rename to static/data/abs/benzene_XMS-CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/benzene_XMS-CASPT2_aug-cc-pVDZ.dat b/static/data/abs/benzene_XMS-CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_XMS-CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/benzene_XMS-CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/benzene_XMS-CASPT2_aug-cc-pVQZ.dat b/static/data/abs/benzene_XMS-CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_XMS-CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/benzene_XMS-CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/benzene_XMS-CASPT2_aug-cc-pVTZ.dat b/static/data/abs/benzene_XMS-CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_XMS-CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/benzene_XMS-CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/benzene_exFCI_6-31+G(d).dat b/static/data/abs/benzene_exFCI_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/benzene_exFCI_6-31+G(d).dat
rename to static/data/abs/benzene_exFCI_6-31+G(d)_double.dat
diff --git a/static/data/abs/benzene_exFCI_aug-cc-pVDZ.dat b/static/data/abs/benzene_exFCI_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_exFCI_aug-cc-pVDZ.dat
rename to static/data/abs/benzene_exFCI_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/benzene_exFCI_aug-cc-pVQZ.dat b/static/data/abs/benzene_exFCI_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_exFCI_aug-cc-pVQZ.dat
rename to static/data/abs/benzene_exFCI_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/benzene_exFCI_aug-cc-pVTZ.dat b/static/data/abs/benzene_exFCI_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/benzene_exFCI_aug-cc-pVTZ.dat
rename to static/data/abs/benzene_exFCI_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/benzene_exFCI_double.dat b/static/data/abs/benzene_exFCI_double.dat
new file mode 100644
index 00000000..741d1d54
--- /dev/null
+++ b/static/data/abs/benzene_exFCI_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Benzene
+# Comment  : 
+# code     : 
+# method   : exFCI
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_{1g}     1       1     E_{2g}       (\pi,\pi \rightarrow \pi^\star,\pi^\star) 8.41          _              _            false
+  1       1     A_{1g}     2       1     A_{1g}       (\pi,\pi \rightarrow \pi^\star,\pi^\star) 7.06          _              _            false
diff --git a/static/data/abs/beryllium_CASPT2_6-31+G(d).dat b/static/data/abs/beryllium_CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/beryllium_CASPT2_6-31+G(d).dat
rename to static/data/abs/beryllium_CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/beryllium_CASPT2_aug-cc-pVDZ.dat b/static/data/abs/beryllium_CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/beryllium_CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/beryllium_CASPT2_aug-cc-pVQZ.dat b/static/data/abs/beryllium_CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/beryllium_CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/beryllium_CASPT2_aug-cc-pVTZ.dat b/static/data/abs/beryllium_CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/beryllium_CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/beryllium_CC3_6-31+G(d).dat b/static/data/abs/beryllium_CC3_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/beryllium_CC3_6-31+G(d).dat
rename to static/data/abs/beryllium_CC3_6-31+G(d)_double.dat
diff --git a/static/data/abs/beryllium_CC3_aug-cc-pVDZ.dat b/static/data/abs/beryllium_CC3_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_CC3_aug-cc-pVDZ.dat
rename to static/data/abs/beryllium_CC3_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/beryllium_CC3_aug-cc-pVQZ.dat b/static/data/abs/beryllium_CC3_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_CC3_aug-cc-pVQZ.dat
rename to static/data/abs/beryllium_CC3_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/beryllium_CC3_aug-cc-pVTZ.dat b/static/data/abs/beryllium_CC3_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_CC3_aug-cc-pVTZ.dat
rename to static/data/abs/beryllium_CC3_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/beryllium_CCSDTQ_6-31+G(d).dat b/static/data/abs/beryllium_CCSDTQ_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/beryllium_CCSDTQ_6-31+G(d).dat
rename to static/data/abs/beryllium_CCSDTQ_6-31+G(d)_double.dat
diff --git a/static/data/abs/beryllium_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/beryllium_CCSDTQ_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_CCSDTQ_aug-cc-pVDZ.dat
rename to static/data/abs/beryllium_CCSDTQ_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/beryllium_CCSDTQ_aug-cc-pVQZ.dat b/static/data/abs/beryllium_CCSDTQ_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_CCSDTQ_aug-cc-pVQZ.dat
rename to static/data/abs/beryllium_CCSDTQ_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/beryllium_CCSDTQ_aug-cc-pVTZ.dat b/static/data/abs/beryllium_CCSDTQ_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_CCSDTQ_aug-cc-pVTZ.dat
rename to static/data/abs/beryllium_CCSDTQ_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/beryllium_CCSDT_6-31+G(d).dat b/static/data/abs/beryllium_CCSDT_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/beryllium_CCSDT_6-31+G(d).dat
rename to static/data/abs/beryllium_CCSDT_6-31+G(d)_double.dat
diff --git a/static/data/abs/beryllium_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/beryllium_CCSDT_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_CCSDT_aug-cc-pVDZ.dat
rename to static/data/abs/beryllium_CCSDT_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/beryllium_CCSDT_aug-cc-pVQZ.dat b/static/data/abs/beryllium_CCSDT_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_CCSDT_aug-cc-pVQZ.dat
rename to static/data/abs/beryllium_CCSDT_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/beryllium_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/beryllium_CCSDT_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_CCSDT_aug-cc-pVTZ.dat
rename to static/data/abs/beryllium_CCSDT_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/beryllium_NEVPT2_6-31+G(d).dat b/static/data/abs/beryllium_NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/beryllium_NEVPT2_6-31+G(d).dat
rename to static/data/abs/beryllium_NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/beryllium_NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/beryllium_NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/beryllium_NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/beryllium_NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/beryllium_NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/beryllium_NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/beryllium_NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/beryllium_NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/beryllium_NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/beryllium_exFCI_6-31+G(d).dat b/static/data/abs/beryllium_exFCI_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/beryllium_exFCI_6-31+G(d).dat
rename to static/data/abs/beryllium_exFCI_6-31+G(d)_double.dat
diff --git a/static/data/abs/beryllium_exFCI_aug-cc-pVDZ.dat b/static/data/abs/beryllium_exFCI_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_exFCI_aug-cc-pVDZ.dat
rename to static/data/abs/beryllium_exFCI_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/beryllium_exFCI_aug-cc-pVQZ.dat b/static/data/abs/beryllium_exFCI_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_exFCI_aug-cc-pVQZ.dat
rename to static/data/abs/beryllium_exFCI_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/beryllium_exFCI_aug-cc-pVTZ.dat b/static/data/abs/beryllium_exFCI_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/beryllium_exFCI_aug-cc-pVTZ.dat
rename to static/data/abs/beryllium_exFCI_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/beryllium_exFCI_double.dat b/static/data/abs/beryllium_exFCI_double.dat
new file mode 100644
index 00000000..559afad9
--- /dev/null
+++ b/static/data/abs/beryllium_exFCI_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Beryllium
+# Comment  : 
+# code     : 
+# method   : exFCI
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     S          1       1     D            (2s,2s \rightarrow 2p,2p)               7.06          _              _            false
+  1       1     S          1       1     D            (2s,2s \rightarrow 2p,2p)               6.55          _              _            false
diff --git a/static/data/abs/butadiene_CASPT2_6-31+G(d).dat b/static/data/abs/butadiene_CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/butadiene_CASPT2_6-31+G(d).dat
rename to static/data/abs/butadiene_CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/butadiene_CASPT2_aug-cc-pVDZ.dat b/static/data/abs/butadiene_CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/butadiene_CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/butadiene_CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/butadiene_CASPT2_aug-cc-pVQZ.dat b/static/data/abs/butadiene_CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/butadiene_CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/butadiene_CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/butadiene_CASPT2_aug-cc-pVTZ.dat b/static/data/abs/butadiene_CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/butadiene_CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/butadiene_CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/butadiene_CC3_6-31+G(d)_double.dat b/static/data/abs/butadiene_CC3_6-31+G(d)_double.dat
new file mode 100644
index 00000000..2d970c6b
--- /dev/null
+++ b/static/data/abs/butadiene_CC3_6-31+G(d)_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Butadiene
+# Comment  : 
+# code     : 
+# method   : CC3,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi,\pi)           6.73          74             _            false
diff --git a/static/data/abs/butadiene_CC3_aug-cc-pVDZ_double.dat b/static/data/abs/butadiene_CC3_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..6873e530
--- /dev/null
+++ b/static/data/abs/butadiene_CC3_aug-cc-pVDZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Butadiene
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi,\pi)           6.68          76             _            false
diff --git a/static/data/abs/butadiene_CC3_aug-cc-pVQZ.dat b/static/data/abs/butadiene_CC3_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/butadiene_CC3_aug-cc-pVQZ.dat
rename to static/data/abs/butadiene_CC3_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/butadiene_CC3_aug-cc-pVTZ_double.dat b/static/data/abs/butadiene_CC3_aug-cc-pVTZ_double.dat
new file mode 100644
index 00000000..9f01300c
--- /dev/null
+++ b/static/data/abs/butadiene_CC3_aug-cc-pVTZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Butadiene
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVTZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi,\pi)           6.67          75             _            false
diff --git a/static/data/abs/butadiene_CCSDT_6-31+G(d)_double.dat b/static/data/abs/butadiene_CCSDT_6-31+G(d)_double.dat
new file mode 100644
index 00000000..f37d3f58
--- /dev/null
+++ b/static/data/abs/butadiene_CCSDT_6-31+G(d)_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Butadiene
+# Comment  : 
+# code     : 
+# method   : CCSDT,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi,\pi)           6.63          _              _            false
diff --git a/static/data/abs/butadiene_CCSDT_aug-cc-pVDZ_double.dat b/static/data/abs/butadiene_CCSDT_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..d62b7925
--- /dev/null
+++ b/static/data/abs/butadiene_CCSDT_aug-cc-pVDZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Butadiene
+# Comment  : 
+# code     : 
+# method   : CCSDT,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi,\pi)           6.59          _              _            false
diff --git a/static/data/abs/butadiene_PC-NEVPT2_6-31+G(d).dat b/static/data/abs/butadiene_PC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/butadiene_PC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/butadiene_PC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/butadiene_PC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/butadiene_PC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/butadiene_PC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/butadiene_PC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/butadiene_PC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/butadiene_PC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/butadiene_PC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/butadiene_PC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/butadiene_PC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/butadiene_PC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/butadiene_PC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/butadiene_PC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/butadiene_SC-NEVPT2_6-31+G(d).dat b/static/data/abs/butadiene_SC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/butadiene_SC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/butadiene_SC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/butadiene_SC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/butadiene_SC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/butadiene_SC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/butadiene_SC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/butadiene_SC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/butadiene_SC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/butadiene_SC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/butadiene_SC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/butadiene_SC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/butadiene_SC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/butadiene_SC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/butadiene_SC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/butadiene_exFCI_6-31+G(d).dat b/static/data/abs/butadiene_exFCI_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/butadiene_exFCI_6-31+G(d).dat
rename to static/data/abs/butadiene_exFCI_6-31+G(d)_double.dat
diff --git a/static/data/abs/butadiene_exFCI_aug-cc-pVDZ.dat b/static/data/abs/butadiene_exFCI_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/butadiene_exFCI_aug-cc-pVDZ.dat
rename to static/data/abs/butadiene_exFCI_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/butadiene_exFCI_aug-cc-pVQZ.dat b/static/data/abs/butadiene_exFCI_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/butadiene_exFCI_aug-cc-pVQZ.dat
rename to static/data/abs/butadiene_exFCI_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/butadiene_exFCI_aug-cc-pVTZ.dat b/static/data/abs/butadiene_exFCI_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/butadiene_exFCI_aug-cc-pVTZ.dat
rename to static/data/abs/butadiene_exFCI_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/butadiene_exFCI_double.dat b/static/data/abs/butadiene_exFCI_double.dat
new file mode 100644
index 00000000..64f0d8ef
--- /dev/null
+++ b/static/data/abs/butadiene_exFCI_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Butadiene
+# Comment  : 
+# code     : 
+# method   : exFCI
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi,\pi)           6.55          _              _            false
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi,\pi)           2.11          _              _            false
diff --git a/static/data/abs/carbon_dimer_CASPT2_6-31+G(d).dat b/static/data/abs/carbon_dimer_CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CASPT2_6-31+G(d).dat
rename to static/data/abs/carbon_dimer_CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/carbon_dimer_CASPT2_aug-cc-pVDZ.dat b/static/data/abs/carbon_dimer_CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/carbon_dimer_CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/carbon_dimer_CASPT2_aug-cc-pVQZ.dat b/static/data/abs/carbon_dimer_CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/carbon_dimer_CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/carbon_dimer_CASPT2_aug-cc-pVTZ.dat b/static/data/abs/carbon_dimer_CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/carbon_dimer_CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/carbon_dimer_CC3_6-31+G(d).dat b/static/data/abs/carbon_dimer_CC3_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CC3_6-31+G(d).dat
rename to static/data/abs/carbon_dimer_CC3_6-31+G(d)_double.dat
diff --git a/static/data/abs/carbon_dimer_CC3_aug-cc-pVDZ.dat b/static/data/abs/carbon_dimer_CC3_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CC3_aug-cc-pVDZ.dat
rename to static/data/abs/carbon_dimer_CC3_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/carbon_dimer_CC3_aug-cc-pVQZ.dat b/static/data/abs/carbon_dimer_CC3_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CC3_aug-cc-pVQZ.dat
rename to static/data/abs/carbon_dimer_CC3_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/carbon_dimer_CC3_aug-cc-pVTZ.dat b/static/data/abs/carbon_dimer_CC3_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CC3_aug-cc-pVTZ.dat
rename to static/data/abs/carbon_dimer_CC3_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/carbon_dimer_CCSDTQP_6-31+G(d).dat b/static/data/abs/carbon_dimer_CCSDTQP_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CCSDTQP_6-31+G(d).dat
rename to static/data/abs/carbon_dimer_CCSDTQP_6-31+G(d)_double.dat
diff --git a/static/data/abs/carbon_dimer_CCSDTQP_aug-cc-pVDZ.dat b/static/data/abs/carbon_dimer_CCSDTQP_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CCSDTQP_aug-cc-pVDZ.dat
rename to static/data/abs/carbon_dimer_CCSDTQP_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/carbon_dimer_CCSDTQ_6-31+G(d).dat b/static/data/abs/carbon_dimer_CCSDTQ_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CCSDTQ_6-31+G(d).dat
rename to static/data/abs/carbon_dimer_CCSDTQ_6-31+G(d)_double.dat
diff --git a/static/data/abs/carbon_dimer_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/carbon_dimer_CCSDTQ_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CCSDTQ_aug-cc-pVDZ.dat
rename to static/data/abs/carbon_dimer_CCSDTQ_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/carbon_dimer_CCSDTQ_aug-cc-pVTZ.dat b/static/data/abs/carbon_dimer_CCSDTQ_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CCSDTQ_aug-cc-pVTZ.dat
rename to static/data/abs/carbon_dimer_CCSDTQ_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/carbon_dimer_CCSDT_6-31+G(d).dat b/static/data/abs/carbon_dimer_CCSDT_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CCSDT_6-31+G(d).dat
rename to static/data/abs/carbon_dimer_CCSDT_6-31+G(d)_double.dat
diff --git a/static/data/abs/carbon_dimer_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/carbon_dimer_CCSDT_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CCSDT_aug-cc-pVDZ.dat
rename to static/data/abs/carbon_dimer_CCSDT_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/carbon_dimer_CCSDT_aug-cc-pVQZ.dat b/static/data/abs/carbon_dimer_CCSDT_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CCSDT_aug-cc-pVQZ.dat
rename to static/data/abs/carbon_dimer_CCSDT_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/carbon_dimer_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/carbon_dimer_CCSDT_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_CCSDT_aug-cc-pVTZ.dat
rename to static/data/abs/carbon_dimer_CCSDT_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/carbon_dimer_PC-NEVPT2_6-31+G(d).dat b/static/data/abs/carbon_dimer_PC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_PC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/carbon_dimer_PC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/carbon_dimer_PC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/carbon_dimer_PC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_PC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/carbon_dimer_PC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/carbon_dimer_PC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/carbon_dimer_PC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_PC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/carbon_dimer_PC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/carbon_dimer_PC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/carbon_dimer_PC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_PC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/carbon_dimer_PC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/carbon_dimer_SC-NEVPT2_6-31+G(d).dat b/static/data/abs/carbon_dimer_SC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_SC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/carbon_dimer_SC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/carbon_dimer_SC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/carbon_dimer_SC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_SC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/carbon_dimer_SC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/carbon_dimer_SC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/carbon_dimer_SC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_SC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/carbon_dimer_SC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/carbon_dimer_SC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/carbon_dimer_SC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_SC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/carbon_dimer_SC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/carbon_dimer_exFCI_6-31+G(d).dat b/static/data/abs/carbon_dimer_exFCI_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_exFCI_6-31+G(d).dat
rename to static/data/abs/carbon_dimer_exFCI_6-31+G(d)_double.dat
diff --git a/static/data/abs/carbon_dimer_exFCI_aug-cc-pVDZ.dat b/static/data/abs/carbon_dimer_exFCI_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_exFCI_aug-cc-pVDZ.dat
rename to static/data/abs/carbon_dimer_exFCI_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/carbon_dimer_exFCI_aug-cc-pVQZ.dat b/static/data/abs/carbon_dimer_exFCI_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_exFCI_aug-cc-pVQZ.dat
rename to static/data/abs/carbon_dimer_exFCI_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/carbon_dimer_exFCI_aug-cc-pVTZ.dat b/static/data/abs/carbon_dimer_exFCI_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_dimer_exFCI_aug-cc-pVTZ.dat
rename to static/data/abs/carbon_dimer_exFCI_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/carbon_dimer_exFCI_double.dat b/static/data/abs/carbon_dimer_exFCI_double.dat
new file mode 100644
index 00000000..4ae41b9f
--- /dev/null
+++ b/static/data/abs/carbon_dimer_exFCI_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Carbon dimer
+# Comment  : 
+# code     : 
+# method   : exFCI
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g^+ 1       1     \Delta_g     (\pi,\pi \rightarrow \sigma,\sigma)     2.11          _              _            false
+  1       1     \Sigma_g^+ 2       1     \Sigma_g^+   (\pi,\pi \rightarrow \sigma,\sigma)     2.43          _              _            false
diff --git a/static/data/abs/carbon_trimer_CASPT2_6-31+G(d).dat b/static/data/abs/carbon_trimer_CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_CASPT2_6-31+G(d).dat
rename to static/data/abs/carbon_trimer_CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/carbon_trimer_CASPT2_aug-cc-pVDZ.dat b/static/data/abs/carbon_trimer_CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/carbon_trimer_CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/carbon_trimer_CASPT2_aug-cc-pVQZ.dat b/static/data/abs/carbon_trimer_CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/carbon_trimer_CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/carbon_trimer_CASPT2_aug-cc-pVTZ.dat b/static/data/abs/carbon_trimer_CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/carbon_trimer_CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/carbon_trimer_CC3_6-31+G(d).dat b/static/data/abs/carbon_trimer_CC3_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_CC3_6-31+G(d).dat
rename to static/data/abs/carbon_trimer_CC3_6-31+G(d)_double.dat
diff --git a/static/data/abs/carbon_trimer_CC3_aug-cc-pVDZ.dat b/static/data/abs/carbon_trimer_CC3_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_CC3_aug-cc-pVDZ.dat
rename to static/data/abs/carbon_trimer_CC3_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/carbon_trimer_CC3_aug-cc-pVQZ.dat b/static/data/abs/carbon_trimer_CC3_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_CC3_aug-cc-pVQZ.dat
rename to static/data/abs/carbon_trimer_CC3_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/carbon_trimer_CC3_aug-cc-pVTZ.dat b/static/data/abs/carbon_trimer_CC3_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_CC3_aug-cc-pVTZ.dat
rename to static/data/abs/carbon_trimer_CC3_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/carbon_trimer_CCSDTQ_6-31+G(d).dat b/static/data/abs/carbon_trimer_CCSDTQ_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_CCSDTQ_6-31+G(d).dat
rename to static/data/abs/carbon_trimer_CCSDTQ_6-31+G(d)_double.dat
diff --git a/static/data/abs/carbon_trimer_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/carbon_trimer_CCSDTQ_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_CCSDTQ_aug-cc-pVDZ.dat
rename to static/data/abs/carbon_trimer_CCSDTQ_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/carbon_trimer_CCSDT_6-31+G(d).dat b/static/data/abs/carbon_trimer_CCSDT_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_CCSDT_6-31+G(d).dat
rename to static/data/abs/carbon_trimer_CCSDT_6-31+G(d)_double.dat
diff --git a/static/data/abs/carbon_trimer_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/carbon_trimer_CCSDT_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_CCSDT_aug-cc-pVDZ.dat
rename to static/data/abs/carbon_trimer_CCSDT_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/carbon_trimer_CCSDT_aug-cc-pVQZ.dat b/static/data/abs/carbon_trimer_CCSDT_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_CCSDT_aug-cc-pVQZ.dat
rename to static/data/abs/carbon_trimer_CCSDT_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/carbon_trimer_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/carbon_trimer_CCSDT_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_CCSDT_aug-cc-pVTZ.dat
rename to static/data/abs/carbon_trimer_CCSDT_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/carbon_trimer_PC-NEVPT2_6-31+G(d).dat b/static/data/abs/carbon_trimer_PC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_PC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/carbon_trimer_PC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/carbon_trimer_PC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/carbon_trimer_PC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_PC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/carbon_trimer_PC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/carbon_trimer_PC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/carbon_trimer_PC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_PC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/carbon_trimer_PC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/carbon_trimer_PC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/carbon_trimer_PC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_PC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/carbon_trimer_PC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/carbon_trimer_SC-NEVPT2_6-31+G(d).dat b/static/data/abs/carbon_trimer_SC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_SC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/carbon_trimer_SC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/carbon_trimer_SC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/carbon_trimer_SC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_SC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/carbon_trimer_SC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/carbon_trimer_SC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/carbon_trimer_SC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_SC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/carbon_trimer_SC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/carbon_trimer_SC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/carbon_trimer_SC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_SC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/carbon_trimer_SC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/carbon_trimer_exFCI_6-31+G(d).dat b/static/data/abs/carbon_trimer_exFCI_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_exFCI_6-31+G(d).dat
rename to static/data/abs/carbon_trimer_exFCI_6-31+G(d)_double.dat
diff --git a/static/data/abs/carbon_trimer_exFCI_aug-cc-pVDZ.dat b/static/data/abs/carbon_trimer_exFCI_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_exFCI_aug-cc-pVDZ.dat
rename to static/data/abs/carbon_trimer_exFCI_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/carbon_trimer_exFCI_aug-cc-pVQZ.dat b/static/data/abs/carbon_trimer_exFCI_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_exFCI_aug-cc-pVQZ.dat
rename to static/data/abs/carbon_trimer_exFCI_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/carbon_trimer_exFCI_aug-cc-pVTZ.dat b/static/data/abs/carbon_trimer_exFCI_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/carbon_trimer_exFCI_aug-cc-pVTZ.dat
rename to static/data/abs/carbon_trimer_exFCI_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/carbon_trimer_exFCI_double.dat b/static/data/abs/carbon_trimer_exFCI_double.dat
new file mode 100644
index 00000000..9f6d4d93
--- /dev/null
+++ b/static/data/abs/carbon_trimer_exFCI_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Carbon trimer
+# Comment  : 
+# code     : 
+# method   : exFCI
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g^+ 2       1     \Sigma_g^+   (\pi,\pi \rightarrow \sigma,\sigma)     12.15         _              _            false
diff --git a/static/data/abs/ethylene_CASPT2_6-31+G(d).dat b/static/data/abs/ethylene_CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/ethylene_CASPT2_6-31+G(d).dat
rename to static/data/abs/ethylene_CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/ethylene_CASPT2_aug-cc-pVDZ.dat b/static/data/abs/ethylene_CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/ethylene_CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/ethylene_CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/ethylene_CASPT2_aug-cc-pVQZ.dat b/static/data/abs/ethylene_CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/ethylene_CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/ethylene_CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/ethylene_CASPT2_aug-cc-pVTZ.dat b/static/data/abs/ethylene_CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/ethylene_CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/ethylene_CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/ethylene_CC3_6-31+G(d)_double.dat b/static/data/abs/ethylene_CC3_6-31+G(d)_double.dat
new file mode 100644
index 00000000..c642954d
--- /dev/null
+++ b/static/data/abs/ethylene_CC3_6-31+G(d)_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Ethylene
+# Comment  : 
+# code     : 
+# method   : CC3,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 13.82         4              _            false
diff --git a/static/data/abs/ethylene_CC3_aug-cc-pVDZ_double.dat b/static/data/abs/ethylene_CC3_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..bd8de2f2
--- /dev/null
+++ b/static/data/abs/ethylene_CC3_aug-cc-pVDZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Ethylene
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 13.57         15             _            false
diff --git a/static/data/abs/ethylene_CC3_aug-cc-pVQZ.dat b/static/data/abs/ethylene_CC3_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/ethylene_CC3_aug-cc-pVQZ.dat
rename to static/data/abs/ethylene_CC3_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/ethylene_CC3_aug-cc-pVTZ_double.dat b/static/data/abs/ethylene_CC3_aug-cc-pVTZ_double.dat
new file mode 100644
index 00000000..371c799f
--- /dev/null
+++ b/static/data/abs/ethylene_CC3_aug-cc-pVTZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Ethylene
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVTZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 13.42         20             _            false
diff --git a/static/data/abs/ethylene_CCSDTQP_6-31+G(d).dat b/static/data/abs/ethylene_CCSDTQP_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/ethylene_CCSDTQP_6-31+G(d).dat
rename to static/data/abs/ethylene_CCSDTQP_6-31+G(d)_double.dat
diff --git a/static/data/abs/ethylene_CCSDTQ_6-31+G(d)_double.dat b/static/data/abs/ethylene_CCSDTQ_6-31+G(d)_double.dat
new file mode 100644
index 00000000..665135e5
--- /dev/null
+++ b/static/data/abs/ethylene_CCSDTQ_6-31+G(d)_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Ethylene
+# Comment  : 
+# code     : 
+# method   : CCSDTQ,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 13.39         _              _            false
diff --git a/static/data/abs/ethylene_CCSDTQ_aug-cc-pVDZ_double.dat b/static/data/abs/ethylene_CCSDTQ_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..cd76dec4
--- /dev/null
+++ b/static/data/abs/ethylene_CCSDTQ_aug-cc-pVDZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Ethylene
+# Comment  : 
+# code     : 
+# method   : CCSDTQ,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 13.07         _              _            false
diff --git a/static/data/abs/ethylene_CCSDT_6-31+G(d)_double.dat b/static/data/abs/ethylene_CCSDT_6-31+G(d)_double.dat
new file mode 100644
index 00000000..7ec38c55
--- /dev/null
+++ b/static/data/abs/ethylene_CCSDT_6-31+G(d)_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Ethylene
+# Comment  : 
+# code     : 
+# method   : CCSDT,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 13.50         _              _            false
diff --git a/static/data/abs/ethylene_CCSDT_aug-cc-pVDZ_double.dat b/static/data/abs/ethylene_CCSDT_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..af54f568
--- /dev/null
+++ b/static/data/abs/ethylene_CCSDT_aug-cc-pVDZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Ethylene
+# Comment  : 
+# code     : 
+# method   : CCSDT,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 13.20         _              _            false
diff --git a/static/data/abs/ethylene_MS-CASPT2_6-31+G(d).dat b/static/data/abs/ethylene_MS-CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/ethylene_MS-CASPT2_6-31+G(d).dat
rename to static/data/abs/ethylene_MS-CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/ethylene_MS-CASPT2_aug-cc-pVDZ.dat b/static/data/abs/ethylene_MS-CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/ethylene_MS-CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/ethylene_MS-CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/ethylene_MS-CASPT2_aug-cc-pVQZ.dat b/static/data/abs/ethylene_MS-CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/ethylene_MS-CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/ethylene_MS-CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/ethylene_MS-CASPT2_aug-cc-pVTZ.dat b/static/data/abs/ethylene_MS-CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/ethylene_MS-CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/ethylene_MS-CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/ethylene_PC-NEVPT2_6-31+G(d).dat b/static/data/abs/ethylene_PC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/ethylene_PC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/ethylene_PC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/ethylene_PC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/ethylene_PC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/ethylene_PC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/ethylene_PC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/ethylene_PC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/ethylene_PC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/ethylene_PC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/ethylene_PC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/ethylene_PC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/ethylene_PC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/ethylene_PC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/ethylene_PC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/ethylene_SC-NEVPT2_6-31+G(d).dat b/static/data/abs/ethylene_SC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/ethylene_SC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/ethylene_SC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/ethylene_SC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/ethylene_SC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/ethylene_SC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/ethylene_SC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/ethylene_SC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/ethylene_SC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/ethylene_SC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/ethylene_SC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/ethylene_SC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/ethylene_SC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/ethylene_SC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/ethylene_SC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/ethylene_XMS-CASPT2_6-31+G(d).dat b/static/data/abs/ethylene_XMS-CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/ethylene_XMS-CASPT2_6-31+G(d).dat
rename to static/data/abs/ethylene_XMS-CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/ethylene_XMS-CASPT2_aug-cc-pVDZ.dat b/static/data/abs/ethylene_XMS-CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/ethylene_XMS-CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/ethylene_XMS-CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/ethylene_XMS-CASPT2_aug-cc-pVQZ.dat b/static/data/abs/ethylene_XMS-CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/ethylene_XMS-CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/ethylene_XMS-CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/ethylene_XMS-CASPT2_aug-cc-pVTZ.dat b/static/data/abs/ethylene_XMS-CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/ethylene_XMS-CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/ethylene_XMS-CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/ethylene_exFCI_6-31+G(d).dat b/static/data/abs/ethylene_exFCI_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/ethylene_exFCI_6-31+G(d).dat
rename to static/data/abs/ethylene_exFCI_6-31+G(d)_double.dat
diff --git a/static/data/abs/ethylene_exFCI_aug-cc-pVDZ_double.dat b/static/data/abs/ethylene_exFCI_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..9959fa38
--- /dev/null
+++ b/static/data/abs/ethylene_exFCI_aug-cc-pVDZ_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Ethylene
+# Comment  : 
+# code     : 
+# method   : exFCI,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 13.07         _              _            false
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 10.45         _              _            false
diff --git a/static/data/abs/ethylene_exFCI_aug-cc-pVTZ_double.dat b/static/data/abs/ethylene_exFCI_aug-cc-pVTZ_double.dat
new file mode 100644
index 00000000..e5e0228e
--- /dev/null
+++ b/static/data/abs/ethylene_exFCI_aug-cc-pVTZ_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Ethylene
+# Comment  : 
+# code     : 
+# method   : exFCI,aug-cc-pVTZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 12.92         _              _            false
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 10.35         _              _            false
diff --git a/static/data/abs/ethylene_exFCI_double.dat b/static/data/abs/ethylene_exFCI_double.dat
new file mode 100644
index 00000000..92410497
--- /dev/null
+++ b/static/data/abs/ethylene_exFCI_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Ethylene
+# Comment  : 
+# code     : 
+# method   : exFCI
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 12.15         _              _            false
+  1       1     A_g        2       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 9.82          _              _            false
diff --git a/static/data/abs/formaldehyde_CASPT2_6-31+G(d).dat b/static/data/abs/formaldehyde_CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_CASPT2_6-31+G(d).dat
rename to static/data/abs/formaldehyde_CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/formaldehyde_CASPT2_aug-cc-pVDZ.dat b/static/data/abs/formaldehyde_CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/formaldehyde_CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/formaldehyde_CASPT2_aug-cc-pVQZ.dat b/static/data/abs/formaldehyde_CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/formaldehyde_CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/formaldehyde_CASPT2_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/formaldehyde_CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/formaldehyde_CC3_6-31+G(d)_double.dat b/static/data/abs/formaldehyde_CC3_6-31+G(d)_double.dat
new file mode 100644
index 00000000..3a2e0869
--- /dev/null
+++ b/static/data/abs/formaldehyde_CC3_6-31+G(d)_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : CC3,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        3       1     A_1          (n,n \rightarrow \pi^\star,\pi^\star)   11.49         5              _            false
diff --git a/static/data/abs/formaldehyde_CC3_aug-cc-pVDZ_double.dat b/static/data/abs/formaldehyde_CC3_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..070c7ad2
--- /dev/null
+++ b/static/data/abs/formaldehyde_CC3_aug-cc-pVDZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        3       1     A_1          (n,n \rightarrow \pi^\star,\pi^\star)   11.22         4              _            false
diff --git a/static/data/abs/formaldehyde_CC3_aug-cc-pVQZ.dat b/static/data/abs/formaldehyde_CC3_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_CC3_aug-cc-pVQZ.dat
rename to static/data/abs/formaldehyde_CC3_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/formaldehyde_CC3_aug-cc-pVTZ_double.dat b/static/data/abs/formaldehyde_CC3_aug-cc-pVTZ_double.dat
new file mode 100644
index 00000000..976b1c84
--- /dev/null
+++ b/static/data/abs/formaldehyde_CC3_aug-cc-pVTZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVTZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        3       1     A_1          (n,n \rightarrow \pi^\star,\pi^\star)   11.20         5              _            false
diff --git a/static/data/abs/formaldehyde_CCSDTQP_6-31+G(d).dat b/static/data/abs/formaldehyde_CCSDTQP_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_CCSDTQP_6-31+G(d).dat
rename to static/data/abs/formaldehyde_CCSDTQP_6-31+G(d)_double.dat
diff --git a/static/data/abs/formaldehyde_CCSDTQ_6-31+G(d)_double.dat b/static/data/abs/formaldehyde_CCSDTQ_6-31+G(d)_double.dat
new file mode 100644
index 00000000..268cd9db
--- /dev/null
+++ b/static/data/abs/formaldehyde_CCSDTQ_6-31+G(d)_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : CCSDTQ,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        3       1     A_1          (n,n \rightarrow \pi^\star,\pi^\star)   10.87         _              _            false
diff --git a/static/data/abs/formaldehyde_CCSDTQ_aug-cc-pVDZ_double.dat b/static/data/abs/formaldehyde_CCSDTQ_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..354996d5
--- /dev/null
+++ b/static/data/abs/formaldehyde_CCSDTQ_aug-cc-pVDZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : CCSDTQ,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        3       1     A_1          (n,n \rightarrow \pi^\star,\pi^\star)   10.44         _              _            false
diff --git a/static/data/abs/formaldehyde_CCSDT_6-31+G(d)_double.dat b/static/data/abs/formaldehyde_CCSDT_6-31+G(d)_double.dat
new file mode 100644
index 00000000..6af98de9
--- /dev/null
+++ b/static/data/abs/formaldehyde_CCSDT_6-31+G(d)_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : CCSDT,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        3       1     A_1          (n,n \rightarrow \pi^\star,\pi^\star)   11.10         _              _            false
diff --git a/static/data/abs/formaldehyde_CCSDT_aug-cc-pVDZ_double.dat b/static/data/abs/formaldehyde_CCSDT_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..2e01a306
--- /dev/null
+++ b/static/data/abs/formaldehyde_CCSDT_aug-cc-pVDZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : CCSDT,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        3       1     A_1          (n,n \rightarrow \pi^\star,\pi^\star)   10.78         _              _            false
diff --git a/static/data/abs/formaldehyde_CCSDT_aug-cc-pVQZ.dat b/static/data/abs/formaldehyde_CCSDT_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_CCSDT_aug-cc-pVQZ.dat
rename to static/data/abs/formaldehyde_CCSDT_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/formaldehyde_CCSDT_aug-cc-pVTZ_double.dat b/static/data/abs/formaldehyde_CCSDT_aug-cc-pVTZ_double.dat
new file mode 100644
index 00000000..fc0410c2
--- /dev/null
+++ b/static/data/abs/formaldehyde_CCSDT_aug-cc-pVTZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : CCSDT,aug-cc-pVTZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        3       1     A_1          (n,n \rightarrow \pi^\star,\pi^\star)   10.79         _              _            false
diff --git a/static/data/abs/formaldehyde_MS-CASPT2_6-31+G(d).dat b/static/data/abs/formaldehyde_MS-CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_MS-CASPT2_6-31+G(d).dat
rename to static/data/abs/formaldehyde_MS-CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/formaldehyde_MS-CASPT2_aug-cc-pVDZ.dat b/static/data/abs/formaldehyde_MS-CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_MS-CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/formaldehyde_MS-CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/formaldehyde_MS-CASPT2_aug-cc-pVQZ.dat b/static/data/abs/formaldehyde_MS-CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_MS-CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/formaldehyde_MS-CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/formaldehyde_MS-CASPT2_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_MS-CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_MS-CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/formaldehyde_MS-CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/formaldehyde_PC-NEVPT2_6-31+G(d).dat b/static/data/abs/formaldehyde_PC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_PC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/formaldehyde_PC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/formaldehyde_PC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/formaldehyde_PC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_PC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/formaldehyde_PC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/formaldehyde_PC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/formaldehyde_PC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_PC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/formaldehyde_PC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/formaldehyde_PC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_PC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_PC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/formaldehyde_PC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/formaldehyde_SC-NEVPT2_6-31+G(d).dat b/static/data/abs/formaldehyde_SC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_SC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/formaldehyde_SC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/formaldehyde_SC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/formaldehyde_SC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_SC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/formaldehyde_SC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/formaldehyde_SC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/formaldehyde_SC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_SC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/formaldehyde_SC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/formaldehyde_SC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_SC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_SC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/formaldehyde_SC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/formaldehyde_XMS-CASPT2_6-31+G(d).dat b/static/data/abs/formaldehyde_XMS-CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_XMS-CASPT2_6-31+G(d).dat
rename to static/data/abs/formaldehyde_XMS-CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/formaldehyde_XMS-CASPT2_aug-cc-pVDZ.dat b/static/data/abs/formaldehyde_XMS-CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_XMS-CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/formaldehyde_XMS-CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/formaldehyde_XMS-CASPT2_aug-cc-pVQZ.dat b/static/data/abs/formaldehyde_XMS-CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_XMS-CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/formaldehyde_XMS-CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/formaldehyde_XMS-CASPT2_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_XMS-CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_XMS-CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/formaldehyde_XMS-CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/formaldehyde_exFCI_6-31+G(d).dat b/static/data/abs/formaldehyde_exFCI_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/formaldehyde_exFCI_6-31+G(d).dat
rename to static/data/abs/formaldehyde_exFCI_6-31+G(d)_double.dat
diff --git a/static/data/abs/formaldehyde_exFCI_aug-cc-pVDZ_double.dat b/static/data/abs/formaldehyde_exFCI_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..9aca7c8a
--- /dev/null
+++ b/static/data/abs/formaldehyde_exFCI_aug-cc-pVDZ_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : exFCI,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        3       1     A_1          (n,n \rightarrow \pi^\star,\pi^\star)   10.45         _              _            false
+  1       1     A_1        3       1     A_1          (n,n \rightarrow \pi^\star,\pi^\star)   5.48          _              _            false
diff --git a/static/data/abs/formaldehyde_exFCI_aug-cc-pVTZ_double.dat b/static/data/abs/formaldehyde_exFCI_aug-cc-pVTZ_double.dat
new file mode 100644
index 00000000..33a65280
--- /dev/null
+++ b/static/data/abs/formaldehyde_exFCI_aug-cc-pVTZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : exFCI,aug-cc-pVTZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        3       1     A_1          (n,n \rightarrow \pi^\star,\pi^\star)   10.35         _              _            false
diff --git a/static/data/abs/formaldehyde_exFCI_double.dat b/static/data/abs/formaldehyde_exFCI_double.dat
new file mode 100644
index 00000000..59d805d2
--- /dev/null
+++ b/static/data/abs/formaldehyde_exFCI_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : exFCI
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        3       1     A_1          (n,n \rightarrow \pi^\star,\pi^\star)   9.82          _              _            false
+  1       1     A_1        3       1     A_1          (n,n \rightarrow \pi^\star,\pi^\star)   5.66          _              _            false
diff --git a/static/data/abs/glyoxal_CASPT2_6-31+G(d).dat b/static/data/abs/glyoxal_CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/glyoxal_CASPT2_6-31+G(d).dat
rename to static/data/abs/glyoxal_CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/glyoxal_CASPT2_aug-cc-pVDZ.dat b/static/data/abs/glyoxal_CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/glyoxal_CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/glyoxal_CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/glyoxal_CASPT2_aug-cc-pVQZ.dat b/static/data/abs/glyoxal_CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/glyoxal_CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/glyoxal_CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/glyoxal_CASPT2_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/glyoxal_CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/glyoxal_CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/glyoxal_CC3_6-31+G(d)_double.dat b/static/data/abs/glyoxal_CC3_6-31+G(d)_double.dat
new file mode 100644
index 00000000..d344d44d
--- /dev/null
+++ b/static/data/abs/glyoxal_CC3_6-31+G(d)_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Glyoxal
+# Comment  : 
+# code     : 
+# method   : CC3,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   6.74          0              _            false
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   5.78          65             _            false
diff --git a/static/data/abs/glyoxal_CC3_aug-cc-pVDZ_double.dat b/static/data/abs/glyoxal_CC3_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..c577ac10
--- /dev/null
+++ b/static/data/abs/glyoxal_CC3_aug-cc-pVDZ_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Glyoxal
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   6.70          1              _            false
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   5.77          67             _            false
diff --git a/static/data/abs/glyoxal_CC3_aug-cc-pVQZ.dat b/static/data/abs/glyoxal_CC3_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/glyoxal_CC3_aug-cc-pVQZ.dat
rename to static/data/abs/glyoxal_CC3_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/glyoxal_CC3_aug-cc-pVTZ_double.dat b/static/data/abs/glyoxal_CC3_aug-cc-pVTZ_double.dat
new file mode 100644
index 00000000..bf19a36e
--- /dev/null
+++ b/static/data/abs/glyoxal_CC3_aug-cc-pVTZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Glyoxal
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVTZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   6.76          1              _            false
diff --git a/static/data/abs/glyoxal_CC3_double.dat b/static/data/abs/glyoxal_CC3_double.dat
new file mode 100644
index 00000000..0c935b1e
--- /dev/null
+++ b/static/data/abs/glyoxal_CC3_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Glyoxal
+# Comment  : 
+# code     : 
+# method   : CC3
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   5.58          _              _            false
diff --git a/static/data/abs/glyoxal_CCSDT_6-31+G(d)_double.dat b/static/data/abs/glyoxal_CCSDT_6-31+G(d)_double.dat
new file mode 100644
index 00000000..793e4e13
--- /dev/null
+++ b/static/data/abs/glyoxal_CCSDT_6-31+G(d)_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Glyoxal
+# Comment  : 
+# code     : 
+# method   : CCSDT,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   6.24          _              _            false
diff --git a/static/data/abs/glyoxal_CCSDT_aug-cc-pVDZ_double.dat b/static/data/abs/glyoxal_CCSDT_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..f5e8da0c
--- /dev/null
+++ b/static/data/abs/glyoxal_CCSDT_aug-cc-pVDZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Glyoxal
+# Comment  : 
+# code     : 
+# method   : CCSDT,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   6.22          _              _            false
diff --git a/static/data/abs/glyoxal_CCSDT_aug-cc-pVTZ_double.dat b/static/data/abs/glyoxal_CCSDT_aug-cc-pVTZ_double.dat
new file mode 100644
index 00000000..d02d2b0b
--- /dev/null
+++ b/static/data/abs/glyoxal_CCSDT_aug-cc-pVTZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Glyoxal
+# Comment  : 
+# code     : 
+# method   : CCSDT,aug-cc-pVTZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   6.35          _              _            false
diff --git a/static/data/abs/glyoxal_PC-NEVPT2_6-31+G(d).dat b/static/data/abs/glyoxal_PC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/glyoxal_PC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/glyoxal_PC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/glyoxal_PC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/glyoxal_PC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/glyoxal_PC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/glyoxal_PC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/glyoxal_PC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/glyoxal_PC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/glyoxal_PC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/glyoxal_PC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/glyoxal_PC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_PC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/glyoxal_PC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/glyoxal_PC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/glyoxal_SC-NEVPT2_6-31+G(d).dat b/static/data/abs/glyoxal_SC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/glyoxal_SC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/glyoxal_SC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/glyoxal_SC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/glyoxal_SC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/glyoxal_SC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/glyoxal_SC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/glyoxal_SC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/glyoxal_SC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/glyoxal_SC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/glyoxal_SC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/glyoxal_SC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_SC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/glyoxal_SC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/glyoxal_SC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/glyoxal_exFCI_6-31+G(d).dat b/static/data/abs/glyoxal_exFCI_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/glyoxal_exFCI_6-31+G(d).dat
rename to static/data/abs/glyoxal_exFCI_6-31+G(d)_double.dat
diff --git a/static/data/abs/glyoxal_exFCI_aug-cc-pVDZ.dat b/static/data/abs/glyoxal_exFCI_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/glyoxal_exFCI_aug-cc-pVDZ.dat
rename to static/data/abs/glyoxal_exFCI_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/glyoxal_exFCI_double.dat b/static/data/abs/glyoxal_exFCI_double.dat
new file mode 100644
index 00000000..42826ef3
--- /dev/null
+++ b/static/data/abs/glyoxal_exFCI_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Glyoxal
+# Comment  : 
+# code     : 
+# method   : exFCI
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   5.66          _              _            false
diff --git a/static/data/abs/hexatriene_CASPT2_6-31+G(d).dat b/static/data/abs/hexatriene_CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_CASPT2_6-31+G(d).dat
rename to static/data/abs/hexatriene_CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/hexatriene_CASPT2_aug-cc-pVDZ.dat b/static/data/abs/hexatriene_CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/hexatriene_CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/hexatriene_CASPT2_aug-cc-pVQZ.dat b/static/data/abs/hexatriene_CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/hexatriene_CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/hexatriene_CASPT2_aug-cc-pVTZ.dat b/static/data/abs/hexatriene_CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/hexatriene_CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/hexatriene_CC3_6-31+G(d).dat b/static/data/abs/hexatriene_CC3_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_CC3_6-31+G(d).dat
rename to static/data/abs/hexatriene_CC3_6-31+G(d)_double.dat
diff --git a/static/data/abs/hexatriene_CC3_aug-cc-pVDZ.dat b/static/data/abs/hexatriene_CC3_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_CC3_aug-cc-pVDZ.dat
rename to static/data/abs/hexatriene_CC3_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/hexatriene_CC3_double.dat b/static/data/abs/hexatriene_CC3_double.dat
new file mode 100644
index 00000000..b51138b7
--- /dev/null
+++ b/static/data/abs/hexatriene_CC3_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Hexatriene
+# Comment  : 
+# code     : 
+# method   : CC3
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi\rightarrow \pi^\star,\pi^\star) 5.58          _              _            false
diff --git a/static/data/abs/hexatriene_CCSDT_6-31+G(d).dat b/static/data/abs/hexatriene_CCSDT_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_CCSDT_6-31+G(d).dat
rename to static/data/abs/hexatriene_CCSDT_6-31+G(d)_double.dat
diff --git a/static/data/abs/hexatriene_PC-NEVPT2_6-31+G(d).dat b/static/data/abs/hexatriene_PC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_PC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/hexatriene_PC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/hexatriene_PC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/hexatriene_PC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_PC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/hexatriene_PC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/hexatriene_PC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/hexatriene_PC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_PC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/hexatriene_PC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/hexatriene_PC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/hexatriene_PC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_PC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/hexatriene_PC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/hexatriene_SC-NEVPT2_6-31+G(d).dat b/static/data/abs/hexatriene_SC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_SC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/hexatriene_SC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/hexatriene_SC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/hexatriene_SC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_SC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/hexatriene_SC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/hexatriene_SC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/hexatriene_SC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_SC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/hexatriene_SC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/hexatriene_SC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/hexatriene_SC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_SC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/hexatriene_SC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/hexatriene_exFCI_6-31+G(d).dat b/static/data/abs/hexatriene_exFCI_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_exFCI_6-31+G(d).dat
rename to static/data/abs/hexatriene_exFCI_6-31+G(d)_double.dat
diff --git a/static/data/abs/hexatriene_exFCI_aug-cc-pVDZ.dat b/static/data/abs/hexatriene_exFCI_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_exFCI_aug-cc-pVDZ.dat
rename to static/data/abs/hexatriene_exFCI_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/hexatriene_exFCI_aug-cc-pVTZ.dat b/static/data/abs/hexatriene_exFCI_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/hexatriene_exFCI_aug-cc-pVTZ.dat
rename to static/data/abs/hexatriene_exFCI_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/hexatriene_exFCI_double.dat b/static/data/abs/hexatriene_exFCI_double.dat
new file mode 100644
index 00000000..1803b3db
--- /dev/null
+++ b/static/data/abs/hexatriene_exFCI_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Hexatriene
+# Comment  : 
+# code     : 
+# method   : exFCI
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (\pi,\pi\rightarrow \pi^\star,\pi^\star) 4.72          _              _            false
diff --git a/static/data/abs/nitrosomethane_CASPT2_6-31+G(d).dat b/static/data/abs/nitrosomethane_CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/nitrosomethane_CASPT2_6-31+G(d).dat
rename to static/data/abs/nitrosomethane_CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/nitrosomethane_CASPT2_aug-cc-pVDZ.dat b/static/data/abs/nitrosomethane_CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/nitrosomethane_CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/nitrosomethane_CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/nitrosomethane_CASPT2_aug-cc-pVQZ.dat b/static/data/abs/nitrosomethane_CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/nitrosomethane_CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/nitrosomethane_CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/nitrosomethane_CASPT2_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/nitrosomethane_CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/nitrosomethane_CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/nitrosomethane_CC3_6-31+G(d)_double.dat b/static/data/abs/nitrosomethane_CC3_6-31+G(d)_double.dat
new file mode 100644
index 00000000..286e527a
--- /dev/null
+++ b/static/data/abs/nitrosomethane_CC3_6-31+G(d)_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : CC3,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   2       1     A^\prime     (n,n \rightarrow \pi^\star,\pi^\star)   5.73          2              _            false
diff --git a/static/data/abs/nitrosomethane_CC3_aug-cc-pVDZ_double.dat b/static/data/abs/nitrosomethane_CC3_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..b8423f91
--- /dev/null
+++ b/static/data/abs/nitrosomethane_CC3_aug-cc-pVDZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   2       1     A^\prime     (n,n \rightarrow \pi^\star,\pi^\star)   5.75          4              _            false
diff --git a/static/data/abs/nitrosomethane_CC3_aug-cc-pVQZ.dat b/static/data/abs/nitrosomethane_CC3_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/nitrosomethane_CC3_aug-cc-pVQZ.dat
rename to static/data/abs/nitrosomethane_CC3_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/nitrosomethane_CC3_aug-cc-pVTZ_double.dat b/static/data/abs/nitrosomethane_CC3_aug-cc-pVTZ_double.dat
new file mode 100644
index 00000000..741aa0eb
--- /dev/null
+++ b/static/data/abs/nitrosomethane_CC3_aug-cc-pVTZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVTZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   2       1     A^\prime     (n,n \rightarrow \pi^\star,\pi^\star)   5.76          3              _            false
diff --git a/static/data/abs/nitrosomethane_CCSDT_6-31+G(d)_double.dat b/static/data/abs/nitrosomethane_CCSDT_6-31+G(d)_double.dat
new file mode 100644
index 00000000..8fd9591e
--- /dev/null
+++ b/static/data/abs/nitrosomethane_CCSDT_6-31+G(d)_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : CCSDT,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   2       1     A^\prime     (n,n \rightarrow \pi^\star,\pi^\star)   5.26          _              _            false
diff --git a/static/data/abs/nitrosomethane_CCSDT_aug-cc-pVDZ_double.dat b/static/data/abs/nitrosomethane_CCSDT_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..4b281848
--- /dev/null
+++ b/static/data/abs/nitrosomethane_CCSDT_aug-cc-pVDZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : CCSDT,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   2       1     A^\prime     (n,n \rightarrow \pi^\star,\pi^\star)   5.26          _              _            false
diff --git a/static/data/abs/nitrosomethane_CCSDT_aug-cc-pVTZ_double.dat b/static/data/abs/nitrosomethane_CCSDT_aug-cc-pVTZ_double.dat
new file mode 100644
index 00000000..8d34d5ce
--- /dev/null
+++ b/static/data/abs/nitrosomethane_CCSDT_aug-cc-pVTZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : CCSDT,aug-cc-pVTZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   2       1     A^\prime     (n,n \rightarrow \pi^\star,\pi^\star)   5.29          _              _            false
diff --git a/static/data/abs/nitrosomethane_PC-NEVPT2_6-31+G(d).dat b/static/data/abs/nitrosomethane_PC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/nitrosomethane_PC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/nitrosomethane_PC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/nitrosomethane_PC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/nitrosomethane_PC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/nitrosomethane_PC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/nitrosomethane_PC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/nitrosomethane_PC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/nitrosomethane_PC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/nitrosomethane_PC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/nitrosomethane_PC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/nitrosomethane_PC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_PC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/nitrosomethane_PC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/nitrosomethane_PC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/nitrosomethane_SC-NEVPT2_6-31+G(d).dat b/static/data/abs/nitrosomethane_SC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/nitrosomethane_SC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/nitrosomethane_SC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/nitrosomethane_SC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/nitrosomethane_SC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/nitrosomethane_SC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/nitrosomethane_SC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/nitrosomethane_SC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/nitrosomethane_SC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/nitrosomethane_SC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/nitrosomethane_SC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/nitrosomethane_SC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_SC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/nitrosomethane_SC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/nitrosomethane_SC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/nitrosomethane_exFCI_6-31+G(d).dat b/static/data/abs/nitrosomethane_exFCI_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/nitrosomethane_exFCI_6-31+G(d).dat
rename to static/data/abs/nitrosomethane_exFCI_6-31+G(d)_double.dat
diff --git a/static/data/abs/nitrosomethane_exFCI_aug-cc-pVDZ_double.dat b/static/data/abs/nitrosomethane_exFCI_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..917e8940
--- /dev/null
+++ b/static/data/abs/nitrosomethane_exFCI_aug-cc-pVDZ_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : exFCI,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   2       1     A^\prime     (n,n \rightarrow \pi^\star,\pi^\star)   4.84          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (n,n \rightarrow \pi^\star,\pi^\star)   4.40          _              _            false
diff --git a/static/data/abs/nitrosomethane_exFCI_aug-cc-pVQZ.dat b/static/data/abs/nitrosomethane_exFCI_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/nitrosomethane_exFCI_aug-cc-pVQZ.dat
rename to static/data/abs/nitrosomethane_exFCI_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/nitrosomethane_exFCI_aug-cc-pVTZ_double.dat b/static/data/abs/nitrosomethane_exFCI_aug-cc-pVTZ_double.dat
new file mode 100644
index 00000000..b9b4811b
--- /dev/null
+++ b/static/data/abs/nitrosomethane_exFCI_aug-cc-pVTZ_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : exFCI,aug-cc-pVTZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   2       1     A^\prime     (n,n \rightarrow \pi^\star,\pi^\star)   4.76          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (n,n \rightarrow \pi^\star,\pi^\star)   4.33          _              _            false
diff --git a/static/data/abs/nitrosomethane_exFCI_double.dat b/static/data/abs/nitrosomethane_exFCI_double.dat
new file mode 100644
index 00000000..ae505cbc
--- /dev/null
+++ b/static/data/abs/nitrosomethane_exFCI_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : exFCI
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   2       1     A^\prime     (n,n \rightarrow \pi^\star,\pi^\star)   4.72          _              _            false
diff --git a/static/data/abs/nitroxyl_CASPT2_6-31+G(d).dat b/static/data/abs/nitroxyl_CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_CASPT2_6-31+G(d).dat
rename to static/data/abs/nitroxyl_CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/nitroxyl_CASPT2_aug-cc-pVDZ.dat b/static/data/abs/nitroxyl_CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/nitroxyl_CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/nitroxyl_CASPT2_aug-cc-pVQZ.dat b/static/data/abs/nitroxyl_CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/nitroxyl_CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/nitroxyl_CASPT2_aug-cc-pVTZ.dat b/static/data/abs/nitroxyl_CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/nitroxyl_CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/nitroxyl_CC3_6-31+G(d).dat b/static/data/abs/nitroxyl_CC3_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_CC3_6-31+G(d).dat
rename to static/data/abs/nitroxyl_CC3_6-31+G(d)_double.dat
diff --git a/static/data/abs/nitroxyl_CC3_aug-cc-pVDZ.dat b/static/data/abs/nitroxyl_CC3_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_CC3_aug-cc-pVDZ.dat
rename to static/data/abs/nitroxyl_CC3_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/nitroxyl_CC3_aug-cc-pVQZ.dat b/static/data/abs/nitroxyl_CC3_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_CC3_aug-cc-pVQZ.dat
rename to static/data/abs/nitroxyl_CC3_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/nitroxyl_CC3_aug-cc-pVTZ.dat b/static/data/abs/nitroxyl_CC3_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_CC3_aug-cc-pVTZ.dat
rename to static/data/abs/nitroxyl_CC3_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/nitroxyl_CCSDTQP_6-31+G(d).dat b/static/data/abs/nitroxyl_CCSDTQP_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_CCSDTQP_6-31+G(d).dat
rename to static/data/abs/nitroxyl_CCSDTQP_6-31+G(d)_double.dat
diff --git a/static/data/abs/nitroxyl_CCSDTQ_6-31+G(d).dat b/static/data/abs/nitroxyl_CCSDTQ_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_CCSDTQ_6-31+G(d).dat
rename to static/data/abs/nitroxyl_CCSDTQ_6-31+G(d)_double.dat
diff --git a/static/data/abs/nitroxyl_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/nitroxyl_CCSDTQ_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_CCSDTQ_aug-cc-pVDZ.dat
rename to static/data/abs/nitroxyl_CCSDTQ_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/nitroxyl_CCSDT_6-31+G(d).dat b/static/data/abs/nitroxyl_CCSDT_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_CCSDT_6-31+G(d).dat
rename to static/data/abs/nitroxyl_CCSDT_6-31+G(d)_double.dat
diff --git a/static/data/abs/nitroxyl_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/nitroxyl_CCSDT_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_CCSDT_aug-cc-pVDZ.dat
rename to static/data/abs/nitroxyl_CCSDT_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/nitroxyl_CCSDT_aug-cc-pVQZ.dat b/static/data/abs/nitroxyl_CCSDT_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_CCSDT_aug-cc-pVQZ.dat
rename to static/data/abs/nitroxyl_CCSDT_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/nitroxyl_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/nitroxyl_CCSDT_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_CCSDT_aug-cc-pVTZ.dat
rename to static/data/abs/nitroxyl_CCSDT_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/nitroxyl_PC-NEVPT2_6-31+G(d).dat b/static/data/abs/nitroxyl_PC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_PC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/nitroxyl_PC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/nitroxyl_PC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/nitroxyl_PC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_PC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/nitroxyl_PC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/nitroxyl_PC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/nitroxyl_PC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_PC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/nitroxyl_PC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/nitroxyl_PC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/nitroxyl_PC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_PC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/nitroxyl_PC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/nitroxyl_SC-NEVPT2_6-31+G(d).dat b/static/data/abs/nitroxyl_SC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_SC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/nitroxyl_SC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/nitroxyl_SC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/nitroxyl_SC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_SC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/nitroxyl_SC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/nitroxyl_SC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/nitroxyl_SC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_SC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/nitroxyl_SC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/nitroxyl_SC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/nitroxyl_SC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_SC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/nitroxyl_SC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/nitroxyl_exFCI_6-31+G(d).dat b/static/data/abs/nitroxyl_exFCI_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_exFCI_6-31+G(d).dat
rename to static/data/abs/nitroxyl_exFCI_6-31+G(d)_double.dat
diff --git a/static/data/abs/nitroxyl_exFCI_aug-cc-pVDZ.dat b/static/data/abs/nitroxyl_exFCI_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_exFCI_aug-cc-pVDZ.dat
rename to static/data/abs/nitroxyl_exFCI_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/nitroxyl_exFCI_aug-cc-pVQZ.dat b/static/data/abs/nitroxyl_exFCI_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_exFCI_aug-cc-pVQZ.dat
rename to static/data/abs/nitroxyl_exFCI_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/nitroxyl_exFCI_aug-cc-pVTZ.dat b/static/data/abs/nitroxyl_exFCI_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/nitroxyl_exFCI_aug-cc-pVTZ.dat
rename to static/data/abs/nitroxyl_exFCI_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/pyrazine_CASPT2_6-31+G(d).dat b/static/data/abs/pyrazine_CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/pyrazine_CASPT2_6-31+G(d).dat
rename to static/data/abs/pyrazine_CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/pyrazine_CASPT2_aug-cc-pVDZ.dat b/static/data/abs/pyrazine_CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/pyrazine_CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/pyrazine_CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/pyrazine_CASPT2_aug-cc-pVQZ.dat b/static/data/abs/pyrazine_CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/pyrazine_CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/pyrazine_CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/pyrazine_CASPT2_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/pyrazine_CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/pyrazine_CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/pyrazine_CC3_6-31+G(d)_double.dat b/static/data/abs/pyrazine_CC3_6-31+G(d)_double.dat
new file mode 100644
index 00000000..f566d503
--- /dev/null
+++ b/static/data/abs/pyrazine_CC3_6-31+G(d)_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Pyrazine
+# Comment  : 
+# code     : 
+# method   : CC3,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   9.27          7              _            false
+  1       1     A_g        3       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 8.88          73             _            false
diff --git a/static/data/abs/pyrazine_CC3_aug-cc-pVDZ_double.dat b/static/data/abs/pyrazine_CC3_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..a2760769
--- /dev/null
+++ b/static/data/abs/pyrazine_CC3_aug-cc-pVDZ_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Pyrazine
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   9.17          28             _            false
+  1       1     A_g        3       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 8.77          72             _            false
diff --git a/static/data/abs/pyrazine_CC3_aug-cc-pVTZ_double.dat b/static/data/abs/pyrazine_CC3_aug-cc-pVTZ_double.dat
new file mode 100644
index 00000000..782161ce
--- /dev/null
+++ b/static/data/abs/pyrazine_CC3_aug-cc-pVTZ_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Pyrazine
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVTZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   9.17          12             _            false
+  1       1     A_g        3       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 8.69          71             _            false
diff --git a/static/data/abs/pyrazine_CCSDT_6-31+G(d)_double.dat b/static/data/abs/pyrazine_CCSDT_6-31+G(d)_double.dat
new file mode 100644
index 00000000..a9f9e804
--- /dev/null
+++ b/static/data/abs/pyrazine_CCSDT_6-31+G(d)_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Pyrazine
+# Comment  : 
+# code     : 
+# method   : CCSDT,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        3       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 5.86          _              _            false
diff --git a/static/data/abs/pyrazine_CCSDT_aug-cc-pVDZ_double.dat b/static/data/abs/pyrazine_CCSDT_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..d633563b
--- /dev/null
+++ b/static/data/abs/pyrazine_CCSDT_aug-cc-pVDZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Pyrazine
+# Comment  : 
+# code     : 
+# method   : CCSDT,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        3       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 5.86          _              _            false
diff --git a/static/data/abs/pyrazine_CCSDT_double.dat b/static/data/abs/pyrazine_CCSDT_double.dat
new file mode 100644
index 00000000..a9b02224
--- /dev/null
+++ b/static/data/abs/pyrazine_CCSDT_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Pyrazine
+# Comment  : 
+# code     : 
+# method   : CCSDT
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        3       1     A_g          (\pi,\pi \rightarrow \pi^\star,\pi^\star) 4.66          _              _            false
diff --git a/static/data/abs/pyrazine_PC-NEVPT2_6-31+G(d).dat b/static/data/abs/pyrazine_PC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/pyrazine_PC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/pyrazine_PC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/pyrazine_PC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/pyrazine_PC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/pyrazine_PC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/pyrazine_PC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/pyrazine_PC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/pyrazine_PC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/pyrazine_PC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/pyrazine_PC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/pyrazine_PC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_PC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/pyrazine_PC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/pyrazine_PC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/pyrazine_SC-NEVPT2_6-31+G(d).dat b/static/data/abs/pyrazine_SC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/pyrazine_SC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/pyrazine_SC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/pyrazine_SC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/pyrazine_SC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/pyrazine_SC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/pyrazine_SC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/pyrazine_SC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/pyrazine_SC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/pyrazine_SC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/pyrazine_SC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/pyrazine_SC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_SC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/pyrazine_SC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/pyrazine_SC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/tetrazine_CASPT2_6-31+G(d).dat b/static/data/abs/tetrazine_CASPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/tetrazine_CASPT2_6-31+G(d).dat
rename to static/data/abs/tetrazine_CASPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/tetrazine_CASPT2_aug-cc-pVDZ.dat b/static/data/abs/tetrazine_CASPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/tetrazine_CASPT2_aug-cc-pVDZ.dat
rename to static/data/abs/tetrazine_CASPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/tetrazine_CASPT2_aug-cc-pVQZ.dat b/static/data/abs/tetrazine_CASPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/tetrazine_CASPT2_aug-cc-pVQZ.dat
rename to static/data/abs/tetrazine_CASPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/tetrazine_CASPT2_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_CASPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/tetrazine_CASPT2_aug-cc-pVTZ.dat
rename to static/data/abs/tetrazine_CASPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/tetrazine_CC3_6-31+G(d)_double.dat b/static/data/abs/tetrazine_CC3_6-31+G(d)_double.dat
new file mode 100644
index 00000000..74fb60a5
--- /dev/null
+++ b/static/data/abs/tetrazine_CC3_6-31+G(d)_double.dat
@@ -0,0 +1,13 @@
+# Molecule : Tetrazine
+# Comment  : 
+# code     : 
+# method   : CC3,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   6.22          1              _            false
+  1       1     A_g        1       1     B_{3g}       (n,n \rightarrow \pi^\star_1,\pi^\star_2) 7.64          0              _            false
+  1       1     A_g        1       3     B_{3g}       (n,n \rightarrow \pi^\star_1,\pi^\star_2) 7.35          5              _            false
diff --git a/static/data/abs/tetrazine_CC3_aug-cc-pVDZ_double.dat b/static/data/abs/tetrazine_CC3_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..e004f069
--- /dev/null
+++ b/static/data/abs/tetrazine_CC3_aug-cc-pVDZ_double.dat
@@ -0,0 +1,13 @@
+# Molecule : Tetrazine
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   6.22          1              _            false
+  1       1     A_g        1       1     B_{3g}       (n,n \rightarrow \pi^\star_1,\pi^\star_2) 7.62          2              _            false
+  1       1     A_g        1       3     B_{3g}       (n,n \rightarrow \pi^\star_1,\pi^\star_2) 7.33          5              _            false
diff --git a/static/data/abs/tetrazine_CC3_aug-cc-pVQZ.dat b/static/data/abs/tetrazine_CC3_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/tetrazine_CC3_aug-cc-pVQZ.dat
rename to static/data/abs/tetrazine_CC3_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/tetrazine_CC3_aug-cc-pVTZ_double.dat b/static/data/abs/tetrazine_CC3_aug-cc-pVTZ_double.dat
new file mode 100644
index 00000000..58dace0d
--- /dev/null
+++ b/static/data/abs/tetrazine_CC3_aug-cc-pVTZ_double.dat
@@ -0,0 +1,13 @@
+# Molecule : Tetrazine
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVTZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   6.21          1              _            false
+  1       1     A_g        1       1     B_{3g}       (n,n \rightarrow \pi^\star_1,\pi^\star_2) 7.62          1              _            false
+  1       1     A_g        1       3     B_{3g}       (n,n \rightarrow \pi^\star_1,\pi^\star_2) 7.35          6              _            false
diff --git a/static/data/abs/tetrazine_CC3_double.dat b/static/data/abs/tetrazine_CC3_double.dat
new file mode 100644
index 00000000..c988e16c
--- /dev/null
+++ b/static/data/abs/tetrazine_CC3_double.dat
@@ -0,0 +1,12 @@
+# Molecule : Tetrazine
+# Comment  : 
+# code     : 
+# method   : CC3
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3g}       (n,n \rightarrow \pi^\star_1,\pi^\star_2) 5.76          _              _            false
+  1       1     A_g        1       3     B_{3g}       (n,n \rightarrow \pi^\star_1,\pi^\star_2) 5.50          _              _            false
diff --git a/static/data/abs/tetrazine_CCSDT_6-31+G(d)_double.dat b/static/data/abs/tetrazine_CCSDT_6-31+G(d)_double.dat
new file mode 100644
index 00000000..c8046118
--- /dev/null
+++ b/static/data/abs/tetrazine_CCSDT_6-31+G(d)_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Tetrazine
+# Comment  : 
+# code     : 
+# method   : CCSDT,6-31+G(d)
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   5.86          _              _            false
diff --git a/static/data/abs/tetrazine_CCSDT_aug-cc-pVDZ_double.dat b/static/data/abs/tetrazine_CCSDT_aug-cc-pVDZ_double.dat
new file mode 100644
index 00000000..1c7a643a
--- /dev/null
+++ b/static/data/abs/tetrazine_CCSDT_aug-cc-pVDZ_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Tetrazine
+# Comment  : 
+# code     : 
+# method   : CCSDT,aug-cc-pVDZ
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   5.86          _              _            false
diff --git a/static/data/abs/tetrazine_CCSDT_double.dat b/static/data/abs/tetrazine_CCSDT_double.dat
new file mode 100644
index 00000000..c731323c
--- /dev/null
+++ b/static/data/abs/tetrazine_CCSDT_double.dat
@@ -0,0 +1,11 @@
+# Molecule : Tetrazine
+# Comment  : 
+# code     : 
+# method   : CCSDT
+# geom     : 
+# DOI      : 10.1021/acs.jctc.8b01205
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        2       1     A_g          (n,n \rightarrow \pi^\star,\pi^\star)   4.66          _              _            false
diff --git a/static/data/abs/tetrazine_PC-NEVPT2_6-31+G(d).dat b/static/data/abs/tetrazine_PC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/tetrazine_PC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/tetrazine_PC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/tetrazine_PC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/tetrazine_PC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/tetrazine_PC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/tetrazine_PC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/tetrazine_PC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/tetrazine_PC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/tetrazine_PC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/tetrazine_PC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/tetrazine_PC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_PC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/tetrazine_PC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/tetrazine_PC-NEVPT2_aug-cc-pVTZ_double.dat
diff --git a/static/data/abs/tetrazine_SC-NEVPT2_6-31+G(d).dat b/static/data/abs/tetrazine_SC-NEVPT2_6-31+G(d)_double.dat
similarity index 100%
rename from static/data/abs/tetrazine_SC-NEVPT2_6-31+G(d).dat
rename to static/data/abs/tetrazine_SC-NEVPT2_6-31+G(d)_double.dat
diff --git a/static/data/abs/tetrazine_SC-NEVPT2_aug-cc-pVDZ.dat b/static/data/abs/tetrazine_SC-NEVPT2_aug-cc-pVDZ_double.dat
similarity index 100%
rename from static/data/abs/tetrazine_SC-NEVPT2_aug-cc-pVDZ.dat
rename to static/data/abs/tetrazine_SC-NEVPT2_aug-cc-pVDZ_double.dat
diff --git a/static/data/abs/tetrazine_SC-NEVPT2_aug-cc-pVQZ.dat b/static/data/abs/tetrazine_SC-NEVPT2_aug-cc-pVQZ_double.dat
similarity index 100%
rename from static/data/abs/tetrazine_SC-NEVPT2_aug-cc-pVQZ.dat
rename to static/data/abs/tetrazine_SC-NEVPT2_aug-cc-pVQZ_double.dat
diff --git a/static/data/abs/tetrazine_SC-NEVPT2_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_SC-NEVPT2_aug-cc-pVTZ_double.dat
similarity index 100%
rename from static/data/abs/tetrazine_SC-NEVPT2_aug-cc-pVTZ.dat
rename to static/data/abs/tetrazine_SC-NEVPT2_aug-cc-pVTZ_double.dat