Ec/pyrimidine/cc-pvdz/slurm-508624.out

+ INPUT=pyrimidine
+ source /users/p18005/veril/tmpdir/qp2/quantum_package.rc
++ QP_ROOT=/NOT/FOUND
++ case "$(ps -p $$ -ocomm=)" in
+++ ps -p 62560 -ocomm=
+++ dirname '/users/p18005/veril/tmpdir/qp2/quantum_package.rc[0]'
++ QP_ROOT=/users/p18005/veril/tmpdir/qp2
+++ cd /users/p18005/veril/tmpdir/qp2
+++ pwd -P
++ export QP_ROOT=/tmpdir/veril/qp2
++ QP_ROOT=/tmpdir/veril/qp2
++ WD=/users/p18005/veril/tmpdir/Ec/pyrimidine/cc-pvdz
++ cd /tmpdir/veril/qp2/etc
++ for SCRIPT in '*.rc'
++ source 00.qp_root.rc
+++ export QP_ROOT=/tmpdir/veril/qp2
+++ QP_ROOT=/tmpdir/veril/qp2
++ for SCRIPT in '*.rc'
++ source autocomplete.rc
++++ ps -p 62560 -ocomm=
+++ [[ slurm_script == \z\s\h ]]
++ for SCRIPT in '*.rc'
++ source configure.rc
+++ source /tmpdir/veril/qp2/etc/autocomplete.rc
+++++ ps -p 62560 -ocomm=
++++ [[ slurm_script == \z\s\h ]]
+++ complete -F _configure_Complete configure
++ for SCRIPT in '*.rc'
++ source ezfio.rc
+++ export QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
+++ QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
+++ source /tmpdir/veril/qp2/etc/autocomplete.rc
+++++ ps -p 62560 -ocomm=
++++ [[ slurm_script == \z\s\h ]]
+++ source_if_exists /tmpdir/veril/qp2/external/ezfio/Bash/ezfio.sh
++ for SCRIPT in '*.rc'
++ source irpf90.rc
+++ export IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6
+++ IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6
+++ export PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
+++ PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
+++ export IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90
+++ IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90
+++ source /tmpdir/veril/qp2/etc/autocomplete.rc
+++++ ps -p 62560 -ocomm=
++++ [[ slurm_script == \z\s\h ]]
+++ source_if_exists /tmpdir/veril/qp2/external/irpf90-v1.7.6/irpman-completions.bash
++ for SCRIPT in '*.rc'
++ source libraries.rc
+++ QP_LIB=
++ for SCRIPT in '*.rc'
++ source local.rc
++ for SCRIPT in '*.rc'
++ source ninja.rc
+++ export NINJA=/tmpdir/veril/qp2/bin/ninja
+++ NINJA=/tmpdir/veril/qp2/bin/ninja
++ for SCRIPT in '*.rc'
++ source ocaml.rc
+++ [[ -z /tmpdir/veril/qp2/external/opam ]]
+++ source /tmpdir/veril/qp2/external/opam/opam-init/init.sh
++ for SCRIPT in '*.rc'
++ source paths.rc
+++ QP_PYTHON=
+++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc
+++ source ezfio.rc
++++ export QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
++++ QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
++++ source /tmpdir/veril/qp2/etc/autocomplete.rc
++++++ ps -p 62560 -ocomm=
+++++ [[ slurm_script == \z\s\h ]]
++++ source_if_exists /tmpdir/veril/qp2/external/ezfio/Bash/ezfio.sh
+++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc
+++ source irpf90.rc
++++ export IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6
++++ IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6
++++ export PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
++++ PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
++++ export IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90
++++ IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90
++++ source /tmpdir/veril/qp2/etc/autocomplete.rc
++++++ ps -p 62560 -ocomm=
+++++ [[ slurm_script == \z\s\h ]]
++++ source_if_exists /tmpdir/veril/qp2/external/irpf90-v1.7.6/irpman-completions.bash
+++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc
+++ source ninja.rc
++++ export NINJA=/tmpdir/veril/qp2/bin/ninja
++++ NINJA=/tmpdir/veril/qp2/bin/ninja
+++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc
+++ source ocaml.rc
++++ [[ -z /tmpdir/veril/qp2/external/opam ]]
++++ source /tmpdir/veril/qp2/external/opam/opam-init/init.sh
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile
++++ qp_prepend_export PYTHONPATH /tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile
++++ eval 'value_1=${PYTHONPATH}'
+++++ value_1=/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:
++++ [[ -z /tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile: ]]
++++ echo /tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:
+++ export PYTHONPATH=/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:
+++ PYTHONPATH=/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:
++++ qp_prepend_export PATH :/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml
++++ eval 'value_1=${PATH}'
+++++ value_1=/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
++++ [[ -z /tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin ]]
++++ echo :/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
+++ export PATH=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
+++ PATH=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
++++ qp_prepend_export LD_LIBRARY_PATH /tmpdir/veril/qp2/lib
++++ eval 'value_1=${LD_LIBRARY_PATH}'
+++++ value_1=/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib
++++ [[ -z /tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib ]]
++++ echo /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib
+++ export LD_LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib
+++ LD_LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib
++++ qp_prepend_export LIBRARY_PATH /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64
++++ eval 'value_1=${LIBRARY_PATH}'
+++++ value_1=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64
++++ [[ -z /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64 ]]
++++ echo /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64
+++ export LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64
+++ LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64
++++ qp_prepend_export C_INCLUDE_PATH /tmpdir/veril/qp2/include
++++ eval 'value_1=${C_INCLUDE_PATH}'
+++++ value_1=/tmpdir/veril/qp2/include:
++++ [[ -z /tmpdir/veril/qp2/include: ]]
++++ echo /tmpdir/veril/qp2/include:/tmpdir/veril/qp2/include:
+++ export C_INCLUDE_PATH=/tmpdir/veril/qp2/include:/tmpdir/veril/qp2/include:
+++ C_INCLUDE_PATH=/tmpdir/veril/qp2/include:/tmpdir/veril/qp2/include:
++ for SCRIPT in '*.rc'
++ source qp.rc
++++ ps -p 62560 -ocomm=
+++ [[ slurm_script == \z\s\h ]]
+++ source /tmpdir/veril/qp2/etc/ezfio.rc
++++ export QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
++++ QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
++++ source /tmpdir/veril/qp2/etc/autocomplete.rc
++++++ ps -p 62560 -ocomm=
+++++ [[ slurm_script == \z\s\h ]]
++++ source_if_exists /tmpdir/veril/qp2/external/ezfio/Bash/ezfio.sh
+++ complete -F _qp_Complete qp
++ cd /users/p18005/veril/tmpdir/Ec/pyrimidine/cc-pvdz
++ [[ -z /tmpdir/veril/qp2 ]]
+ set -e
+ ./localize.sh pyrimidine.ang /tmpdir/veril/qp2/data/basis/cc-pvdz pyrimidine

Orbital localization

Method : Boys_er
Separation type : Sigma/pi
Max number of iterations : 1000000
cc : 1e-05
epsilon : 1.
charge : 0
Rotation pre angle : 0.001

Criterion max_angle norm_angle average_angle

Orbital lists:
Core: [1,2,3,4,5,6,]
Occupied: [7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,]
Virtual: [22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,]
Sigma occ: [7,8,9,10,11,12,13,14,15,16,17,18,]
Pi occ: [19,20,21,]
Sigma vir: [25,26,27,28,29,30,31,32,33,34,35,36,37,38,40,44,45,47,49,51,52,57,58,60,61,62,63,64,65,66,67,70,71,72,73,76,77,78,79,82,83,87,88,89,91,92,93,94,95,96,97,98,99,100,101,102,103,104,]
Pi vir: [22,23,24,39,41,42,43,46,48,50,53,54,55,56,59,68,69,74,75,80,81,84,85,86,90,]

0 28.956935 0.784615 1.109929 0.001682
1 39.188715 0.784609 0.026579 0.000040
2 39.191268 -0.013627 0.018305 0.000028
3 39.193424 -0.012521 0.004639 0.000007
4 39.193674 -0.002170 0.003479 0.000005
5 39.193742 -0.001291 0.002960 0.000004
6 39.193819 -0.001236 0.002389 0.000004
7 39.193836 -0.001150 0.001751 0.000003
8 39.193874 -0.001029 0.000973 0.000001
9 39.193884 0.000500 0.000669 0.000001
10 39.193885 -0.000358 0.000437 0.000001
11 39.193887 0.000204 0.000329 0.000000
12 39.193887 -0.000154 0.000247 0.000000
13 39.193887 0.000153 0.000119 0.000000
14 39.193888 -0.000084 0.000003 0.000000
15 39.193888 0.000001 0.000002 0.000000
0 5.234946 -0.785142 6.131247 0.004645
1 10.080507 0.785106 5.409808 0.004098
2 15.009367 0.783853 4.927596 0.003733
3 16.582467 0.783249 4.674926 0.003542
4 21.595764 -0.783162 4.778111 0.003620
5 26.429830 -0.773696 4.762295 0.003608
6 31.280061 0.771974 4.523864 0.003427
7 32.782240 0.768919 4.190621 0.003175
8 34.285806 0.768616 3.828563 0.002900
9 35.967238 -0.676732 3.749660 0.002841
10 37.651938 -0.674503 3.643317 0.002760
11 39.568665 -0.631846 3.777108 0.002861
12 41.151557 0.765734 3.813018 0.002889
13 41.721222 -0.711401 3.448142 0.002612
14 42.062028 -0.703590 3.205597 0.002428
15 45.942278 0.687268 3.058957 0.002317
16 47.923118 0.622221 2.844519 0.002155
17 48.707063 0.702904 2.687172 0.002036
18 54.904225 -0.555744 2.285866 0.001732
19 59.798066 0.432534 2.232658 0.001691
20 61.063039 -0.676986 2.075013 0.001572
21 61.867834 0.418349 2.009388 0.001522
22 62.527210 -0.404548 1.912596 0.001449
23 62.911207 0.374532 1.818818 0.001378
24 68.719000 0.357723 1.641408 0.001243
25 71.375071 -0.329715 1.559101 0.001181
26 76.582127 0.311547 1.458648 0.001105
27 78.623515 -0.288846 1.373036 0.001040
28 82.525018 -0.279772 1.294397 0.000981
29 85.225491 -0.249760 1.242302 0.000941
30 89.257241 -0.239465 1.191382 0.000903
31 90.600419 -0.223782 1.159971 0.000879
32 91.119720 0.237626 1.126314 0.000853
33 93.913902 -0.216614 1.086034 0.000823
34 94.942857 -0.201662 1.030283 0.000781
35 96.314559 -0.168678 0.992356 0.000752
36 96.607520 -0.168008 0.979999 0.000742
37 96.777311 0.169064 0.953719 0.000723
38 98.023682 0.162291 0.927087 0.000702
39 99.002577 -0.160497 0.889044 0.000674
40 99.546879 -0.154909 0.860548 0.000652
41 100.302970 -0.154547 0.828100 0.000627
42 100.969001 0.148261 0.801077 0.000607
43 102.260665 0.144254 0.776971 0.000589
44 102.757457 0.139971 0.743670 0.000563
45 103.526016 0.138077 0.715723 0.000542
46 104.206975 0.132310 0.694453 0.000526
47 104.299041 0.131402 0.667070 0.000505
48 104.623298 -0.119255 0.651045 0.000493
49 105.050390 0.118771 0.628987 0.000477
50 105.181091 -0.109240 0.608793 0.000461
51 105.478219 0.106864 0.597376 0.000453
52 105.598896 -0.107156 0.585035 0.000443
53 105.691109 0.099981 0.569604 0.000432
54 106.848637 0.100358 0.556976 0.000422
55 107.000263 -0.112961 0.532815 0.000404
56 107.041237 0.097395 0.517919 0.000392
57 107.103986 -0.098834 0.501852 0.000380
58 107.207578 0.100613 0.484055 0.000367
59 107.580345 0.095120 0.468037 0.000355
60 108.099016 -0.089369 0.452364 0.000343
61 108.362718 0.091671 0.433974 0.000329
62 108.551896 0.087774 0.416920 0.000316
63 108.798956 -0.080911 0.396380 0.000300
64 108.964627 -0.079648 0.380377 0.000288
65 109.027483 -0.076182 0.363120 0.000275
66 109.390299 -0.074285 0.346506 0.000263
67 109.548421 0.071211 0.331456 0.000251
68 109.727416 -0.071092 0.314212 0.000238
69 110.128785 0.065527 0.300598 0.000228
70 110.555603 0.064468 0.286658 0.000217
71 110.595947 0.061809 0.273624 0.000207
72 110.725665 -0.060318 0.259376 0.000196
73 110.761245 0.058460 0.247473 0.000187
74 110.773180 0.049688 0.238653 0.000181
75 110.941050 -0.048536 0.227626 0.000172
76 111.017891 -0.045361 0.220337 0.000167
77 111.040786 0.044516 0.211076 0.000160
78 111.051783 0.041842 0.198266 0.000150
79 111.188370 0.041271 0.189481 0.000144
80 111.279879 -0.040650 0.179173 0.000136
81 111.323531 0.039999 0.172834 0.000131
82 111.413802 -0.037244 0.162868 0.000123
83 111.418738 -0.031848 0.157329 0.000119
84 111.456165 0.031596 0.150605 0.000114
85 111.509335 -0.031052 0.144070 0.000109
86 111.519588 0.030179 0.138438 0.000105
87 111.530382 -0.031765 0.131036 0.000099
88 111.534045 0.027528 0.126178 0.000096
89 111.553065 -0.027330 0.120184 0.000091
90 111.600928 -0.026218 0.114256 0.000087
91 111.621536 0.025074 0.108634 0.000082
92 111.627954 0.023497 0.102914 0.000078
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1615 711.640932 -0.064004 1.688040 0.000265
1616 711.649533 0.065393 1.685562 0.000264
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1618 711.781584 -0.063954 1.681383 0.000264
1619 712.332174 0.063838 1.678321 0.000263
1620 712.344204 0.067410 1.676670 0.000263
1621 712.860788 0.063632 1.678554 0.000263
1622 712.896221 0.067524 1.675597 0.000263
1623 712.947998 -0.068219 1.674937 0.000263
1624 712.966110 0.067109 1.674742 0.000262
1625 712.971598 -0.067028 1.671298 0.000262
1626 712.986776 0.063608 1.668982 0.000262
1627 713.215088 0.063492 1.666294 0.000261
1628 713.415588 -0.063385 1.663877 0.000261
1629 713.761351 -0.063185 1.659666 0.000260
1630 714.081711 -0.063093 1.659608 0.000260
1631 714.091448 0.070666 1.657468 0.000260
1632 714.457938 -0.062923 1.657525 0.000260
1633 714.463427 -0.072994 1.655552 0.000259
1634 714.463998 0.076555 1.651695 0.000259
1635 714.601132 0.063694 1.650326 0.000259
1636 714.775001 0.062819 1.648440 0.000258
1637 714.775397 -0.072218 1.645369 0.000258
1638 714.923206 -0.062751 1.645498 0.000258
1639 714.928279 -0.069182 1.642844 0.000257
1640 715.239010 -0.062709 1.640322 0.000257
1641 715.468094 -0.062328 1.644560 0.000258
1642 715.471496 0.117795 1.636214 0.000256
1643 715.842098 0.062240 1.650546 0.000259
1644 715.844160 0.177187 1.632838 0.000256
1645 715.910787 0.067061 1.632221 0.000256
1646 715.922740 -0.065361 1.630427 0.000256
1647 716.308442 0.062744 1.687294 0.000264
1648 716.310284 -0.315449 1.626237 0.000255
1649 716.333938 0.068465 1.625876 0.000255
1650 716.381397 0.067309 1.622779 0.000254
1651 716.475164 0.062681 1.619664 0.000254
1652 716.516549 -0.066178 1.616177 0.000253
1653 717.086474 0.062456 1.613051 0.000253
1654 717.209155 -0.062392 1.610687 0.000252
1655 717.223986 -0.064158 1.610561 0.000252
1656 717.279951 0.062021 1.608624 0.000252
1657 717.300922 -0.061886 1.605856 0.000252
1658 717.476319 0.061870 1.603590 0.000251
1659 717.583774 0.061314 1.601066 0.000251
1660 717.650117 -0.061055 1.600280 0.000251
1661 717.774902 0.060994 1.598244 0.000251
1662 717.798301 0.060781 1.596829 0.000250
1663 717.812035 -0.061766 1.595575 0.000250
1664 717.985263 -0.061632 1.593430 0.000250
1665 717.992112 -0.066022 1.590407 0.000249
1666 718.397482 0.060740 1.588572 0.000249
1667 718.475913 0.060612 1.584666 0.000248
1668 719.087445 -0.060447 1.583050 0.000248
1669 719.098247 0.067625 1.580560 0.000248
1670 719.207932 -0.060283 1.578898 0.000247
1671 719.332024 -0.062451 1.577479 0.000247
1672 719.345337 0.066160 1.574656 0.000247
1673 719.355248 -0.060278 1.574208 0.000247
1674 719.704415 -0.060270 1.570635 0.000246
1675 719.884549 -0.060211 1.569687 0.000246
1676 719.956700 0.060046 1.567080 0.000246
1677 720.218029 0.059831 1.564718 0.000245
1678 720.253577 -0.059764 1.563596 0.000245
1679 720.308215 -0.059681 1.559955 0.000245
1680 720.452924 -0.059519 1.555470 0.000244
1681 720.612641 -0.060978 1.553967 0.000244
1682 720.722088 -0.059474 1.551762 0.000243
1683 721.049352 0.059264 1.548608 0.000243
1684 721.114187 -0.059170 1.546595 0.000242
1685 721.563708 0.059246 1.548410 0.000243
1686 721.567143 -0.061009 1.546924 0.000242
1687 721.748520 -0.059782 1.545674 0.000242
1688 722.055277 -0.058939 1.542589 0.000242
1689 722.075870 -0.058406 1.541196 0.000242
1690 722.118096 -0.058712 1.538401 0.000241
1691 722.338950 -0.058314 1.537588 0.000241
1692 722.388145 0.061174 1.535934 0.000241
1693 722.389084 0.064099 1.533145 0.000240
1694 722.397523 0.062003 1.530895 0.000240
1695 722.560783 -0.058218 1.530015 0.000240
1696 722.595280 -0.064033 1.529104 0.000240
1697 722.636591 -0.060159 1.526834 0.000239
1698 722.668692 -0.058719 1.525032 0.000239
1699 722.818387 0.058181 1.530045 0.000240
1700 722.818812 -0.095395 1.524911 0.000239
1701 722.888595 0.057459 1.523059 0.000239
1702 722.896325 0.057207 1.523874 0.000239
1703 722.896737 0.066314 1.520556 0.000238
1704 723.165124 -0.056934 1.517805 0.000238
1705 723.402421 -0.056803 1.514634 0.000237
1706 723.551004 -0.056928 1.512566 0.000237
1707 723.812662 0.058188 1.510286 0.000237
1708 723.875363 -0.056780 1.509472 0.000237
1709 723.876243 0.061193 1.507264 0.000236
1710 724.025380 -0.056607 1.506262 0.000236
1711 724.028178 0.064109 1.503397 0.000236
1712 724.050421 -0.056521 1.502971 0.000236
1713 724.098914 0.056235 1.501022 0.000235
1714 724.202396 0.055900 1.500030 0.000235
1715 724.362211 -0.055854 1.499232 0.000235
1716 724.413712 -0.055946 1.500629 0.000235
1717 724.414929 0.065632 1.497560 0.000235
1718 724.485568 0.056925 1.494283 0.000234
1719 724.721829 -0.055787 1.491609 0.000234
1720 724.778633 0.055779 1.489603 0.000233
1721 724.823825 0.057950 1.487105 0.000233
1722 724.824117 -0.055524 1.484997 0.000233
1723 725.148023 0.055518 1.484528 0.000233
1724 725.152526 0.057089 1.483548 0.000233
1725 725.229793 0.055501 1.481427 0.000232
1726 725.384901 -0.055551 1.479510 0.000232
1727 725.520008 0.055360 1.476133 0.000231
1728 725.619727 -0.055353 1.475060 0.000231
1729 725.744811 0.056478 1.472684 0.000231
1730 726.003008 0.055264 1.469984 0.000230
1731 726.033859 -0.056460 1.468020 0.000230
1732 726.201988 -0.054911 1.465404 0.000230
1733 726.886760 0.055176 1.463773 0.000229
1734 726.893174 0.055379 1.465681 0.000230
1735 726.894165 -0.084751 1.460820 0.000229
1736 727.087073 0.054600 1.464442 0.000230
1737 727.087615 -0.098708 1.457053 0.000228
1738 727.370030 -0.054598 1.456444 0.000228
1739 727.453587 -0.054365 1.454766 0.000228
1740 727.454283 0.056011 1.452472 0.000228
1741 727.461769 0.054354 1.451388 0.000227
1742 727.658494 -0.054300 1.449136 0.000227
1743 727.809286 0.054296 1.447347 0.000227
1744 727.878191 -0.053939 1.445563 0.000227
1745 727.891506 0.055165 1.445263 0.000227
1746 728.169091 -0.055026 1.443854 0.000226
1747 728.174823 -0.053707 1.443920 0.000226
1748 728.333433 0.053627 1.443415 0.000226
1749 728.403109 0.053550 1.441515 0.000226
1750 728.509969 -0.053514 1.439750 0.000226
1751 728.515353 -0.053300 1.437256 0.000225
1752 728.669809 0.053099 1.434725 0.000225
1753 729.114466 0.053099 1.432688 0.000225
1754 729.159135 0.054165 1.433239 0.000225
1755 729.163224 0.055607 1.431518 0.000224
1756 729.225763 -0.057494 1.431199 0.000224
1757 729.392532 -0.053247 1.430191 0.000224
1758 729.497169 0.053042 1.428396 0.000224
1759 729.604051 -0.056257 1.427956 0.000224
1760 729.640282 -0.056105 1.426816 0.000224
1761 729.641122 0.060664 1.424211 0.000223
1762 729.733362 -0.052842 1.422306 0.000223
1763 730.108951 0.053424 1.421820 0.000223
1764 730.485778 -0.052701 1.419369 0.000222
1765 730.490327 0.052589 1.417250 0.000222
1766 730.529440 0.052514 1.415274 0.000222
1767 730.558068 -0.052493 1.412955 0.000221
1768 730.593768 0.052488 1.411789 0.000221
1769 730.594689 -0.057002 1.409315 0.000221
1770 730.692383 0.052278 1.409531 0.000221
1771 730.694354 -0.059056 1.406576 0.000220
1772 730.938369 0.052797 1.410338 0.000221
1773 730.938987 0.077401 1.406309 0.000220
1774 731.012251 0.052306 1.402962 0.000220
1775 731.015715 0.057627 1.400656 0.000220
1776 731.030342 -0.052005 1.398327 0.000219
1777 731.334801 -0.052024 1.395655 0.000219
1778 731.439010 0.051854 1.395833 0.000219
1779 731.439724 -0.057439 1.393647 0.000218
1780 731.744706 -0.051786 1.393060 0.000218
1781 731.766758 -0.052987 1.390456 0.000218
1782 731.958836 0.052859 1.388535 0.000218
1783 732.008379 0.052599 1.385794 0.000217
1784 732.367818 -0.051688 1.385235 0.000217
1785 732.375130 -0.056399 1.383687 0.000217
1786 732.464428 0.051511 1.382151 0.000217
1787 732.710902 -0.051473 1.378833 0.000216
1788 732.849168 -0.051336 1.377319 0.000216
1789 732.874622 -0.052201 1.376506 0.000216
1790 732.981441 0.051293 1.374339 0.000215
1791 733.086091 0.051674 1.373184 0.000215
1792 733.330767 -0.051145 1.371097 0.000215
1793 733.415025 -0.051093 1.368922 0.000215
1794 733.516955 -0.050939 1.368187 0.000214
1795 733.517221 0.051346 1.366090 0.000214
1796 733.607678 -0.051236 1.364329 0.000214
1797 733.778572 0.050821 1.361781 0.000213
1798 733.921773 0.050783 1.366500 0.000214
1799 733.922279 -0.085386 1.361985 0.000213
1800 733.932331 -0.050871 1.380529 0.000216
1801 733.934169 -0.168170 1.360932 0.000213
1802 733.955083 -0.052684 1.373214 0.000215
1803 733.956515 0.138901 1.359903 0.000213
1804 734.055379 0.054146 1.359872 0.000213
1805 734.055555 -0.057501 1.357158 0.000213
1806 734.141083 -0.050763 1.356440 0.000213
1807 734.150862 0.052710 1.355394 0.000212
1808 734.242681 -0.052461 1.353346 0.000212
1809 734.443595 -0.051180 1.350940 0.000212
1810 734.561689 0.050980 1.349559 0.000212
1811 734.703511 -0.050636 1.348150 0.000211
1812 734.993911 -0.050577 1.344960 0.000211
1813 735.088494 -0.050569 1.343638 0.000211
1814 735.093494 -0.050483 1.342136 0.000210
1815 735.155935 0.050472 1.338913 0.000210
1816 735.200933 -0.050264 1.336639 0.000210
1817 735.245014 0.050190 1.334238 0.000209
1818 735.458393 -0.050018 1.333800 0.000209
1819 735.620175 0.050013 1.331815 0.000209
1820 735.683342 0.050518 1.330607 0.000209
1821 735.689407 -0.050193 1.329151 0.000208
1822 735.966651 -0.049661 1.325671 0.000208
1823 736.053847 0.049614 1.324133 0.000208
1824 736.054071 -0.058595 1.321540 0.000207
1825 736.280741 0.049770 1.319236 0.000207
1826 736.288084 -0.049604 1.321256 0.000207
1827 736.289136 0.073390 1.316944 0.000206
1828 736.359115 -0.049568 1.314585 0.000206
1829 736.507723 0.049434 1.313022 0.000206
1830 737.253282 0.049424 1.313087 0.000206
1831 737.264122 0.049660 1.311880 0.000206
1832 737.275632 0.050338 1.309863 0.000205
1833 737.420819 -0.049319 1.310020 0.000205
1834 737.641499 0.049400 1.311446 0.000206
1835 737.642232 -0.053955 1.308992 0.000205
1836 737.642803 0.053619 1.306362 0.000205
1837 737.683126 0.049290 1.303996 0.000204
1838 737.702409 -0.049320 1.303035 0.000204
1839 737.860530 0.049231 1.301749 0.000204
1840 737.965413 0.049108 1.299548 0.000204
1841 738.023305 -0.049268 1.298444 0.000204
1842 738.067341 0.049039 1.296786 0.000203
1843 738.144909 0.048981 1.294426 0.000203
1844 738.181768 -0.048964 1.293415 0.000203
1845 738.336763 -0.049583 1.290425 0.000202
1846 738.406205 -0.048675 1.288139 0.000202
1847 738.461920 0.050437 1.286652 0.000202
1848 738.485569 -0.049384 1.284270 0.000201
1849 738.507203 0.049223 1.282194 0.000201
1850 738.545035 0.048670 1.280967 0.000201
1851 738.706840 0.049403 1.279465 0.000201
1852 738.713513 0.050536 1.277517 0.000200
1853 738.715511 0.049331 1.275805 0.000200
1854 738.721248 -0.048685 1.274727 0.000200
1855 738.751377 0.048367 1.272462 0.000199
1856 738.797709 0.049677 1.270558 0.000199
1857 738.843312 0.048302 1.268528 0.000199
1858 738.881956 0.049685 1.268912 0.000199
1859 738.884374 0.048293 1.267314 0.000199
1860 739.008153 0.048454 1.265143 0.000198
1861 739.264110 -0.048139 1.269707 0.000199
1862 739.264730 -0.083731 1.264988 0.000198
1863 739.265112 0.047774 1.263157 0.000198
1864 739.522591 -0.047679 1.261521 0.000198
1865 739.626823 0.048388 1.259579 0.000197
1866 739.832339 -0.047645 1.258379 0.000197
1867 739.839115 -0.047540 1.259136 0.000197
1868 739.839980 -0.056758 1.256811 0.000197
1869 739.845642 0.047450 1.255459 0.000197
1870 739.961330 -0.048080 1.254463 0.000197
1871 739.964606 -0.048029 1.253125 0.000196
1872 739.983843 -0.047591 1.250769 0.000196
1873 740.095130 -0.047319 1.257814 0.000197
1874 740.096210 0.105472 1.248056 0.000196
1875 740.261459 -0.047794 1.247140 0.000195
1876 740.608294 -0.047426 1.249025 0.000196
1877 740.609020 -0.071473 1.245481 0.000195
1878 740.615223 0.046741 1.244770 0.000195
1879 740.774014 0.046710 1.243374 0.000195
1880 740.867097 -0.046708 1.241204 0.000195
1881 740.936519 -0.046690 1.239360 0.000194
1882 741.255465 -0.047436 1.238504 0.000194
1883 741.307841 0.047146 1.238450 0.000194
1884 741.381094 0.047677 1.237030 0.000194
1885 741.559330 0.046582 1.236190 0.000194
1886 741.559624 -0.052763 1.233883 0.000193
1887 741.684494 -0.047276 1.232572 0.000193
1888 741.688556 -0.046568 1.230803 0.000193
1889 741.761315 0.046477 1.227173 0.000192
1890 741.896522 -0.046465 1.227627 0.000192
1891 741.896815 0.056504 1.225171 0.000192
1892 742.098553 0.046366 1.223224 0.000192
1893 742.128982 0.049085 1.222199 0.000192
1894 742.261585 -0.046310 1.223699 0.000192
1895 742.262538 0.069432 1.220591 0.000191
1896 742.308382 -0.046201 1.219552 0.000191
1897 742.344278 -0.046945 1.218994 0.000191
1898 742.470373 -0.046086 1.218412 0.000191
1899 742.471178 -0.051561 1.215991 0.000191
1900 742.526095 0.047119 1.214739 0.000190
1901 742.568659 0.046317 1.213863 0.000190
1902 742.862940 -0.046001 1.212979 0.000190
1903 742.868888 0.045987 1.212274 0.000190
1904 743.246632 0.045855 1.216414 0.000191
1905 743.247145 0.075099 1.211015 0.000190
1906 743.479965 -0.045815 1.209025 0.000190
1907 743.604791 -0.045614 1.207725 0.000189
1908 743.675064 0.045559 1.206437 0.000189
1909 743.705035 0.046773 1.204625 0.000189
1910 743.737027 0.045362 1.202916 0.000189
1911 743.793020 -0.045296 1.200998 0.000188
1912 743.795124 -0.045169 1.199841 0.000188
1913 743.891415 0.045104 1.199144 0.000188
1914 744.115360 0.045014 1.197586 0.000188
1915 744.197130 0.045004 1.196454 0.000188
1916 744.470291 0.044790 1.194710 0.000187
1917 744.524300 0.044602 1.192408 0.000187
1918 744.782979 0.044546 1.190140 0.000187
1919 744.794894 -0.044516 1.188919 0.000186
1920 744.813046 0.044550 1.187340 0.000186
1921 744.865283 0.045214 1.186694 0.000186
1922 744.937201 0.045413 1.184780 0.000186
1923 744.982325 0.044632 1.183148 0.000185
1924 745.177816 0.044497 1.186087 0.000186
1925 745.178253 -0.076157 1.181070 0.000185
1926 745.339007 0.044435 1.178721 0.000185
1927 745.604976 -0.044393 1.176878 0.000184
1928 745.617132 0.044366 1.176232 0.000184
1929 745.617725 -0.044772 1.174805 0.000184
1930 745.619520 0.045547 1.173579 0.000184
1931 745.635372 -0.045007 1.174179 0.000184
1932 745.635597 0.054252 1.171218 0.000184
1933 745.707005 0.044841 1.177385 0.000185
1934 745.707629 0.089570 1.171429 0.000184
1935 745.713916 0.046463 1.177300 0.000185
1936 745.714882 0.085964 1.171494 0.000184
1937 745.724596 0.058220 1.189375 0.000186
1938 745.727059 -0.156182 1.169770 0.000183
1939 745.963304 0.051712 1.172507 0.000184
1940 745.963936 -0.074642 1.167147 0.000183
1941 746.021419 -0.045080 1.165004 0.000183
1942 746.165585 0.044603 1.165532 0.000183
1943 746.290006 0.044355 1.163553 0.000182
1944 746.305491 -0.045653 1.161995 0.000182
1945 746.306272 0.044817 1.160406 0.000182
1946 746.437124 -0.044755 1.158902 0.000182
1947 746.609852 0.044346 1.159076 0.000182
1948 746.610082 0.051461 1.156555 0.000181
1949 746.684512 0.043877 1.155282 0.000181
1950 746.704425 -0.047911 1.154079 0.000181
1951 746.766986 -0.043724 1.152924 0.000181
1952 746.776272 0.043845 1.151169 0.000180
1953 746.879007 0.043677 1.150411 0.000180
1954 746.887408 0.045321 1.148760 0.000180
1955 746.934007 -0.043903 1.147532 0.000180
1956 747.016680 0.043518 1.145711 0.000180
1957 747.031653 0.043498 1.143841 0.000179
1958 747.043660 -0.044701 1.142175 0.000179
1959 747.048610 0.044205 1.140962 0.000179
1960 747.067768 -0.043977 1.138887 0.000179
1961 747.084237 0.043638 1.137481 0.000178
1962 747.198518 -0.044258 1.135463 0.000178
1963 747.409581 0.043448 1.133419 0.000178
1964 747.447913 -0.043323 1.132329 0.000177
1965 747.590926 -0.043314 1.131039 0.000177
1966 747.940341 -0.043115 1.129990 0.000177
1967 748.051923 -0.042952 1.129382 0.000177
1968 748.054182 0.045809 1.127596 0.000177
1969 748.142671 0.043339 1.126008 0.000176
1970 748.196096 0.043409 1.125010 0.000176
1971 748.502597 0.042886 1.122613 0.000176
1972 748.620843 0.043038 1.121693 0.000176
1973 748.806321 0.044094 1.121095 0.000176
1974 748.995233 0.043107 1.119385 0.000175
1975 748.997525 -0.043522 1.118040 0.000175
1976 749.038128 -0.043468 1.116995 0.000175
1977 749.119606 0.042645 1.115012 0.000175
1978 749.219926 -0.042394 1.113365 0.000175
1979 749.319369 -0.042816 1.111944 0.000174
1980 749.336176 -0.042243 1.110347 0.000174
1981 749.405409 0.042187 1.108731 0.000174
1982 749.524272 0.042171 1.106248 0.000173
1983 749.698532 0.042166 1.104938 0.000173
1984 749.727401 -0.042119 1.103263 0.000173
1985 749.776344 0.042072 1.101966 0.000173
1986 749.888618 0.042070 1.100138 0.000172
1987 749.906036 -0.041956 1.098063 0.000172
1988 750.084148 -0.041866 1.096659 0.000172
1989 750.143748 0.041722 1.095816 0.000172
1990 750.149095 -0.041676 1.094523 0.000172
1991 750.386661 -0.041649 1.093220 0.000171
1992 750.446854 -0.041507 1.091817 0.000171
1993 750.494368 -0.041442 1.090568 0.000171
1994 750.530684 0.041390 1.090178 0.000171
1995 750.557894 -0.041793 1.088242 0.000171
1996 750.657307 -0.041622 1.087113 0.000170
1997 750.775945 0.041597 1.085540 0.000170
1998 750.957841 -0.041387 1.084140 0.000170
1999 751.014262 -0.041294 1.083489 0.000170
2000 751.077185 -0.041194 1.081451 0.000170
2001 751.489930 -0.041192 1.082960 0.000170
2002 751.490709 0.062554 1.079113 0.000169
2003 751.562432 -0.041176 1.078435 0.000169
2004 751.612836 -0.042280 1.076859 0.000169
2005 751.712599 0.043469 1.075327 0.000169
2006 751.789815 -0.041156 1.074155 0.000168
2007 751.871228 -0.041231 1.072948 0.000168
2008 751.925171 0.041152 1.071196 0.000168
2009 752.086894 -0.041137 1.070281 0.000168
2010 752.096095 0.045918 1.068551 0.000167
2011 752.120533 0.041102 1.067159 0.000167
2012 752.125038 0.041223 1.065420 0.000167
2013 752.394455 0.041010 1.063732 0.000167
2014 752.557803 0.040860 1.061394 0.000166
2015 752.640394 0.040846 1.058662 0.000166
2016 752.710163 0.040806 1.057325 0.000166
2017 752.723036 -0.040683 1.057116 0.000166
2018 752.730787 0.040872 1.054728 0.000165
2019 752.791209 0.041886 1.058271 0.000166
2020 752.791718 0.078144 1.052481 0.000165
2021 752.841721 -0.041036 1.052010 0.000165
2022 753.148705 -0.040505 1.049832 0.000165
2023 753.214133 0.040493 1.048874 0.000164
2024 753.360475 0.040373 1.046539 0.000164
2025 753.432747 0.041452 1.045482 0.000164
2026 753.595848 0.040475 1.044298 0.000164
2027 753.646364 0.040372 1.042261 0.000163
2028 753.689772 -0.040348 1.041226 0.000163
2029 753.823598 -0.040297 1.039148 0.000163
2030 753.984914 0.040538 1.038454 0.000163
2031 753.985082 -0.044226 1.036569 0.000162
2032 753.999824 -0.040553 1.035219 0.000162
2033 754.026422 -0.040848 1.033319 0.000162
2034 754.068195 0.040338 1.031033 0.000162
2035 754.235542 -0.040290 1.030795 0.000162
2036 754.322973 -0.040156 1.029119 0.000161
2037 754.531748 -0.039872 1.027849 0.000161
2038 754.605588 -0.039848 1.026064 0.000161
2039 754.733178 0.039784 1.025004 0.000161
2040 754.929491 0.039598 1.025983 0.000161
2041 754.930167 0.056259 1.022866 0.000160
2042 754.959695 0.039324 1.020883 0.000160
2043 755.060230 -0.039513 1.020080 0.000160
2044 755.080884 -0.039293 1.019079 0.000160
2045 755.204927 0.039817 1.017146 0.000159
2046 755.280048 -0.039550 1.016092 0.000159
2047 755.328108 0.039199 1.014386 0.000159
2048 755.439509 -0.039082 1.021270 0.000160
2049 755.440347 0.097411 1.012027 0.000159
2050 755.557048 -0.039702 1.010875 0.000158
2051 755.582673 -0.038984 1.009570 0.000158
2052 755.586776 0.038922 1.010551 0.000158
2053 755.587011 0.041864 1.008977 0.000158
2054 755.646388 0.039526 1.007835 0.000158
2055 755.658481 -0.038877 1.006313 0.000158
2056 755.783218 -0.039845 1.004674 0.000157
2057 755.876799 -0.038958 1.002909 0.000157
2058 755.917137 -0.038784 1.001517 0.000157
2059 755.930535 0.038767 1.000516 0.000157
2060 756.142053 -0.038721 0.999678 0.000157
2061 756.201704 0.038701 0.998674 0.000157
2062 756.206426 -0.039526 0.996635 0.000156
2063 756.323074 0.038608 0.994766 0.000156
2064 756.417373 -0.038566 0.993355 0.000156
2065 756.450562 0.038562 0.991960 0.000155
2066 756.491597 0.038487 0.989459 0.000155
2067 756.529861 -0.038337 0.988058 0.000155
2068 756.592072 -0.038230 0.987122 0.000155
2069 756.661661 -0.038051 0.985992 0.000155
2070 756.732294 -0.037913 0.984200 0.000154
2071 756.807177 -0.037886 0.982130 0.000154
2072 756.871146 -0.037863 0.982196 0.000154
2073 756.885762 -0.039109 0.982605 0.000154
2074 756.886389 -0.053216 0.979631 0.000154
2075 756.907993 0.038699 0.979909 0.000154
2076 756.910264 0.037828 0.978686 0.000153
2077 756.912356 -0.039618 0.977210 0.000153
2078 757.146862 0.038047 0.976464 0.000153
2079 757.158362 0.037543 0.975513 0.000153
2080 757.183161 0.037528 0.973977 0.000153
2081 757.263500 -0.037419 0.974641 0.000153
2082 757.263962 -0.054505 0.971377 0.000152
2083 757.305843 -0.037396 0.970270 0.000152
2084 757.306259 0.038272 0.969006 0.000152
2085 757.368103 -0.037310 0.967381 0.000152
2086 757.556637 0.037184 0.965132 0.000151
2087 757.575058 0.036997 0.963289 0.000151
2088 757.659702 0.036954 0.961903 0.000151
2089 757.878520 0.036935 0.961043 0.000151
2090 757.974187 0.036836 0.959584 0.000150
2091 758.045546 -0.036812 0.958063 0.000150
2092 758.144143 0.038523 0.957078 0.000150
2093 758.152393 0.037237 0.955999 0.000150
2094 758.153278 -0.038791 0.953846 0.000150
2095 758.283251 0.037183 0.954020 0.000150
2096 758.284545 -0.044253 0.951060 0.000149
2097 758.307781 0.037308 0.949404 0.000149
2098 758.311434 -0.036585 0.949360 0.000149
2099 758.369488 0.036468 0.947747 0.000149
2100 758.375309 -0.037553 0.947818 0.000149
2101 758.455898 0.037753 0.947181 0.000148
2102 758.535533 0.036703 0.945678 0.000148
2103 758.766008 -0.036598 0.944463 0.000148
2104 758.787310 0.036554 0.943514 0.000148
2105 758.789282 0.036432 0.941775 0.000148
2106 758.865054 -0.036357 0.940475 0.000147
2107 758.868794 0.038189 0.939120 0.000147
2108 758.969801 -0.036547 0.938072 0.000147
2109 759.199260 -0.036333 0.937305 0.000147
2110 759.462473 -0.036237 0.935639 0.000147
2111 759.587242 0.036028 0.934549 0.000146
2112 759.592221 0.041147 0.933769 0.000146
2113 759.647763 0.036021 0.932586 0.000146
2114 759.691282 -0.035897 0.931804 0.000146
2115 759.767616 -0.035835 0.930732 0.000146
2116 759.930339 0.035677 0.930449 0.000146
2117 759.944487 0.038537 0.927816 0.000145
2118 760.015637 0.035661 0.926631 0.000145
2119 760.026500 0.036654 0.925629 0.000145
2120 760.093303 -0.035646 0.923950 0.000145
2121 760.162014 0.035589 0.922990 0.000145
2122 760.329759 0.035526 0.921441 0.000144
2123 760.375388 -0.035455 0.919824 0.000144
2124 760.555480 0.035420 0.918557 0.000144
2125 760.561888 0.038423 0.918955 0.000144
2126 760.568748 -0.042515 0.917937 0.000144
2127 760.573079 0.036084 0.916568 0.000144
2128 760.752441 0.036014 0.915242 0.000143
2129 760.757933 0.035861 0.914668 0.000143
2130 760.860208 -0.035345 0.913401 0.000143
2131 760.899049 0.035320 0.912698 0.000143
2132 760.903172 -0.037037 0.910548 0.000143
2133 760.905650 -0.036751 0.908818 0.000142
2134 760.920434 0.036090 0.907682 0.000142
2135 760.934057 -0.035297 0.906101 0.000142
2136 760.952831 0.035804 0.904188 0.000142
2137 761.009135 0.035782 0.903150 0.000142
2138 761.188059 0.035099 0.901779 0.000141
2139 761.359621 0.035197 0.900408 0.000141
2140 761.387170 0.035001 0.899418 0.000141
2141 761.391202 -0.036300 0.899968 0.000141
2142 761.394935 -0.039767 0.899916 0.000141
2143 761.395171 -0.054464 0.896594 0.000141
2144 761.458911 -0.036358 0.895169 0.000140
2145 761.574433 0.035926 0.894458 0.000140
2146 761.602436 -0.034891 0.893271 0.000140
2147 761.654672 0.034783 0.892156 0.000140
2148 761.708831 -0.034766 0.890606 0.000140
2149 761.711256 -0.036153 0.888996 0.000139
2150 761.730098 -0.034948 0.888686 0.000139
2151 761.732118 0.037576 0.886866 0.000139
2152 761.764960 0.035192 0.885387 0.000139
2153 761.773848 0.036345 0.884232 0.000139
2154 761.788671 0.034725 0.883376 0.000138
2155 761.853759 -0.034635 0.882437 0.000138
2156 761.957265 -0.034545 0.881306 0.000138
2157 761.982988 0.034413 0.879831 0.000138
2158 762.064723 0.034533 0.878462 0.000138
2159 762.104537 -0.034321 0.876965 0.000137
2160 762.137946 0.034311 0.875688 0.000137
2161 762.178479 0.034310 0.873690 0.000137
2162 762.180885 0.034509 0.872632 0.000137
2163 762.251959 -0.034224 0.871540 0.000137
2164 762.252406 0.035885 0.870238 0.000136
2165 762.294250 -0.034106 0.868764 0.000136
2166 762.314055 0.034087 0.866833 0.000136
2167 762.319757 -0.035724 0.865630 0.000136
2168 762.358574 0.033910 0.863970 0.000135
2169 762.409405 -0.033728 0.862763 0.000135
2170 762.586346 -0.033682 0.860715 0.000135
2171 762.628334 -0.033646 0.859657 0.000135
2172 762.639672 0.033623 0.858511 0.000135
2173 762.658938 -0.033604 0.857908 0.000134
2174 762.700697 -0.033532 0.856455 0.000134
2175 762.722652 0.033524 0.854939 0.000134
2176 762.769960 -0.034161 0.853330 0.000134
2177 762.772922 -0.033936 0.852388 0.000134
2178 762.854390 -0.033997 0.850590 0.000133
2179 762.875675 -0.033459 0.849725 0.000133
2180 762.945126 -0.033440 0.848472 0.000133
2181 763.012807 -0.033411 0.848024 0.000133
2182 763.013056 0.036484 0.846448 0.000133
2183 763.090516 0.033879 0.845479 0.000133
2184 763.158764 -0.033364 0.844612 0.000132
2185 763.242627 -0.033292 0.843936 0.000132
2186 763.276799 -0.033320 0.843228 0.000132
2187 763.360898 -0.033093 0.841504 0.000132
2188 763.424133 -0.033532 0.840229 0.000132
2189 763.504812 0.033092 0.839058 0.000132
2190 763.535619 0.033070 0.838105 0.000131
2191 763.538860 -0.032968 0.836800 0.000131
2192 763.542478 0.034517 0.841520 0.000132
2193 763.543085 0.071792 0.835559 0.000131
2194 763.548867 0.032898 0.834949 0.000131
2195 763.667495 -0.032801 0.835771 0.000131
2196 763.667737 0.041036 0.833831 0.000131
2197 763.683348 -0.032765 0.832277 0.000130
2198 763.686543 -0.032707 0.833401 0.000131
2199 763.686867 -0.049868 0.830301 0.000130
2200 763.763338 -0.032693 0.829132 0.000130
2201 763.910754 -0.032685 0.827916 0.000130
2202 764.019101 -0.032482 0.826643 0.000130
2203 764.024631 -0.032425 0.825321 0.000129
2204 764.040208 0.032552 0.824079 0.000129
2205 764.067346 -0.032319 0.823188 0.000129
2206 764.129892 -0.032304 0.822096 0.000129
2207 764.181280 0.032260 0.820342 0.000129
2208 764.260855 -0.032462 0.818799 0.000128
2209 764.306585 0.032178 0.818076 0.000128
2210 764.378689 -0.032078 0.816501 0.000128
2211 764.447389 0.032022 0.815014 0.000128
2212 764.539691 0.031999 0.814588 0.000128
2213 764.541003 0.034085 0.812791 0.000127
2214 764.588862 -0.031858 0.812295 0.000127
2215 764.590596 0.034425 0.810697 0.000127
2216 764.607998 0.031755 0.809509 0.000127
2217 764.657626 0.031750 0.807954 0.000127
2218 764.741257 0.031658 0.806879 0.000126
2219 764.944883 0.031657 0.805885 0.000126
2220 764.947812 -0.031638 0.805087 0.000126
2221 764.948093 -0.035844 0.803586 0.000126
2222 764.976314 0.032724 0.801736 0.000126
2223 765.074198 0.031577 0.800817 0.000126
2224 765.076092 0.031552 0.799705 0.000125
2225 765.111943 -0.031475 0.798571 0.000125
2226 765.136810 -0.031411 0.797973 0.000125
2227 765.142776 -0.031550 0.797388 0.000125
2228 765.212890 -0.031332 0.796806 0.000125
2229 765.213059 -0.036987 0.795210 0.000125
2230 765.325231 0.031279 0.793341 0.000124
2231 765.333281 0.032220 0.793412 0.000124
2232 765.337629 -0.031234 0.792366 0.000124
2233 765.346311 0.031863 0.792999 0.000124
2234 765.349771 -0.031482 0.791734 0.000124
2235 765.479945 0.031220 0.790756 0.000124
2236 765.584868 0.031291 0.790352 0.000124
2237 765.586647 0.035357 0.788389 0.000124
2238 765.588410 -0.032419 0.787884 0.000123
2239 765.593043 -0.031837 0.787044 0.000123
2240 765.603449 -0.031272 0.786559 0.000123
2241 765.623672 -0.032459 0.785243 0.000123
2242 765.756466 0.031184 0.783661 0.000123
2243 765.795017 0.031122 0.785221 0.000123
2244 765.795624 0.054716 0.781643 0.000123
2245 765.830209 0.031088 0.780306 0.000122
2246 765.861108 -0.031518 0.779379 0.000122
2247 765.922261 0.031010 0.777904 0.000122
2248 766.028037 -0.030620 0.776496 0.000122
2249 766.067427 -0.030601 0.775634 0.000122
2250 766.265796 0.030593 0.774168 0.000121
2251 766.376263 -0.030443 0.773434 0.000121
2252 766.429655 -0.030414 0.771948 0.000121
2253 766.439075 -0.030463 0.770784 0.000121
2254 766.453365 0.030389 0.769608 0.000121
2255 766.469936 -0.030309 0.768144 0.000120
2256 766.470069 0.030221 0.766760 0.000120
2257 766.489499 0.030197 0.765719 0.000120
2258 766.506980 -0.030181 0.764722 0.000120
2259 766.562084 -0.030091 0.763611 0.000120
2260 766.647754 -0.030063 0.762475 0.000120
2261 766.689933 -0.030059 0.761508 0.000119
2262 766.701715 0.029948 0.760267 0.000119
2263 766.718683 -0.029943 0.758922 0.000119
2264 766.772510 0.029954 0.757663 0.000119
2265 766.853914 -0.029895 0.757269 0.000119
2266 766.906113 0.029775 0.756196 0.000119
2267 766.995943 0.029769 0.754997 0.000118
2268 767.018599 0.029698 0.754156 0.000118
2269 767.051991 0.029624 0.753214 0.000118
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2292 768.127108 -0.028716 0.728707 0.000114
2293 768.141564 -0.028563 0.727661 0.000114
2294 768.156672 -0.028482 0.726626 0.000114
2295 768.280464 0.028395 0.725907 0.000114
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2297 768.331395 -0.028363 0.723724 0.000113
2298 768.338609 0.029721 0.722727 0.000113
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2300 768.478976 -0.028310 0.719155 0.000113
2301 768.535675 -0.028249 0.718268 0.000113
2302 768.636195 0.028248 0.716940 0.000112
2303 768.692919 -0.028218 0.716032 0.000112
2304 768.725494 0.028186 0.715179 0.000112
2305 768.725691 -0.028886 0.714078 0.000112
2306 768.820700 -0.028957 0.713549 0.000112
2307 768.820780 -0.028147 0.712615 0.000112
2308 768.877270 -0.028103 0.712394 0.000112
2309 768.893830 0.028068 0.711390 0.000112
2310 768.894043 0.029385 0.710304 0.000111
2311 768.911077 0.028128 0.709525 0.000111
2312 769.067087 0.028017 0.709483 0.000111
2313 769.071216 0.029441 0.708163 0.000111
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7310 782.185885 -0.000013 0.000286 0.000000
7311 782.185885 0.000014 0.000285 0.000000
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7313 782.185885 -0.000012 0.000284 0.000000
7314 782.185885 0.000012 0.000284 0.000000
7315 782.185885 0.000012 0.000284 0.000000
7316 782.185885 -0.000013 0.000284 0.000000
7317 782.185885 -0.000017 0.000283 0.000000
7318 782.185885 -0.000014 0.000283 0.000000
7319 782.185885 0.000013 0.000282 0.000000
7320 782.185885 -0.000012 0.000282 0.000000
7321 782.185885 0.000012 0.000281 0.000000
7322 782.185885 -0.000013 0.000281 0.000000
7323 782.185885 0.000012 0.000281 0.000000
7324 782.185885 -0.000015 0.000280 0.000000
7325 782.185885 -0.000012 0.000279 0.000000
7326 782.185885 0.000012 0.000279 0.000000
7327 782.185885 -0.000012 0.000278 0.000000
7328 782.185885 0.000012 0.000278 0.000000
7329 782.185885 0.000012 0.000277 0.000000
7330 782.185885 -0.000012 0.000277 0.000000
7331 782.185885 0.000012 0.000276 0.000000
7332 782.185885 0.000012 0.000276 0.000000
7333 782.185885 -0.000012 0.000275 0.000000
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7335 782.185885 0.000012 0.000275 0.000000
7336 782.185885 0.000012 0.000274 0.000000
7337 782.185885 0.000012 0.000274 0.000000
7338 782.185885 -0.000012 0.000273 0.000000
7339 782.185885 -0.000012 0.000272 0.000000
7340 782.185885 -0.000012 0.000272 0.000000
7341 782.185885 -0.000012 0.000271 0.000000
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7343 782.185885 0.000012 0.000270 0.000000
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7350 782.185885 0.000012 0.000267 0.000000
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7357 782.185885 0.000012 0.000266 0.000000
7358 782.185885 -0.000021 0.000264 0.000000
7359 782.185885 -0.000012 0.000264 0.000000
7360 782.185885 0.000012 0.000265 0.000000
7361 782.185885 -0.000021 0.000264 0.000000
7362 782.185885 -0.000012 0.000263 0.000000
7363 782.185885 0.000012 0.000263 0.000000
7364 782.185885 0.000012 0.000262 0.000000
7365 782.185885 0.000012 0.000262 0.000000
7366 782.185885 -0.000012 0.000261 0.000000
7367 782.185885 0.000011 0.000261 0.000000
7368 782.185885 0.000011 0.000261 0.000000
7369 782.185885 -0.000011 0.000260 0.000000
7370 782.185885 0.000012 0.000260 0.000000
7371 782.185885 -0.000011 0.000259 0.000000
7372 782.185885 -0.000012 0.000259 0.000000
7373 782.185885 -0.000012 0.000259 0.000000
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7375 782.185885 -0.000012 0.000259 0.000000
7376 782.185885 0.000012 0.000258 0.000000
7377 782.185885 -0.000011 0.000258 0.000000
7378 782.185885 -0.000011 0.000258 0.000000
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7380 782.185885 0.000011 0.000257 0.000000
7381 782.185885 -0.000011 0.000256 0.000000
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7401 782.185885 0.000011 0.000249 0.000000
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7410 782.185885 -0.000011 0.000246 0.000000
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7418 782.185885 0.000011 0.000244 0.000000
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7420 782.185885 0.000011 0.000244 0.000000
7421 782.185885 0.000011 0.000243 0.000000
7422 782.185885 -0.000011 0.000243 0.000000
7423 782.185885 -0.000011 0.000243 0.000000
7424 782.185885 -0.000011 0.000242 0.000000
7425 782.185885 0.000011 0.000242 0.000000
7426 782.185885 0.000011 0.000242 0.000000
7427 782.185885 -0.000011 0.000242 0.000000
7428 782.185885 -0.000011 0.000241 0.000000
7429 782.185885 -0.000011 0.000241 0.000000
7430 782.185885 -0.000011 0.000241 0.000000
7431 782.185885 -0.000011 0.000240 0.000000
7432 782.185885 -0.000011 0.000240 0.000000
7433 782.185885 0.000011 0.000240 0.000000
7434 782.185885 0.000014 0.000239 0.000000
7435 782.185885 -0.000011 0.000240 0.000000
7436 782.185885 0.000019 0.000239 0.000000
7437 782.185885 -0.000011 0.000239 0.000000
7438 782.185885 -0.000011 0.000238 0.000000
7439 782.185885 -0.000010 0.000238 0.000000
7440 782.185885 0.000010 0.000237 0.000000
7441 782.185885 -0.000010 0.000237 0.000000
7442 782.185885 -0.000010 0.000237 0.000000
7443 782.185885 -0.000010 0.000236 0.000000
7444 782.185885 0.000011 0.000236 0.000000
7445 782.185885 0.000010 0.000236 0.000000
7446 782.185885 0.000010 0.000235 0.000000
7447 782.185885 -0.000010 0.000235 0.000000
7448 782.185885 -0.000010 0.000234 0.000000
7449 782.185885 -0.000010 0.000234 0.000000
7450 782.185885 -0.000010 0.000233 0.000000
7451 782.185885 -0.000010 0.000233 0.000000
7452 782.185885 -0.000010 0.000233 0.000000
7453 782.185885 -0.000010 0.000232 0.000000
7454 782.185885 0.000010 0.000232 0.000000
7455 782.185885 0.000010 0.000232 0.000000
7456 782.185885 -0.000010 0.000231 0.000000

Number of molecular orbitals : 104
Number of pi orbitals :  28
Number of occupied pi orbitals :  3
Number of virtual pi orbitals :  25
Number of sigma orbitals :  76
Number of occupied sigma orbitals :  12
Number of virtual sigma orbitals :  58

All MOs before the localization Average : 12.7890714421; Median : 12.2803413979; Variance : 30.8688973836; Standard deviation : 5.5559785262
All MOs after the localization Average : 3.64419686923; Median : 2.94062932355; Variance : 5.79842817152; Standard deviation : 2.40799256052

Distribution of the spatial extent, before localization / sorting before localization / after localization / sorting after localization =



            -- 1 --   -- 2 --   -- 3 --   -- 4 --
        1     5.18634 0.0976181 0.0724847 0.0683573
        2     5.18643 0.0997869 0.0683573 0.0724847
        3   0.0976181   5.08167 0.0968772  0.095685
        4     5.08167   5.08269  0.095685 0.0968772
        5     5.08269   5.18634 0.0995436 0.0985869
        6   0.0997869   5.18643 0.0985869 0.0995436
        7     7.72628   5.33708   2.13902   1.45733
        8     9.66694   6.36655   2.16614   1.48094
        9     10.3529   7.06034   2.02516   1.48094
       10     13.2784   7.63973   2.02513   1.50078
       11     14.5169   7.72628    2.1834   1.57585
       12     11.9017   7.73656   1.76932   1.57585
       13      15.535   7.96614    2.2569   1.60328
       14     9.75675   8.53864    2.1834   1.60332
       15     10.8325   8.74551   2.16614   1.61069
       16     8.74551   8.93986   1.80865   1.61071
       17     10.2824   8.96844   1.80864    1.6422
       18     9.96247   9.01946   1.76932    1.6422
       19     8.93986   9.17187    5.5093   1.76932
       20     9.90751   9.19614   6.86165   1.76932
       21     9.46399   9.25974    5.5093   1.80864
       22     9.59455   9.27061   3.48554   1.80865
       23     9.27061   9.28947   3.62587   1.82653
       24     9.28947   9.46399   3.48554   1.82672
       25     5.33708   9.59455   4.45139   1.82672
       26     7.06034   9.66694   1.84306   1.84306
       27     7.73656   9.75675   5.27909   2.02513
       28     7.63973   9.85327   2.31555   2.02516
       29     6.36655   9.90751   8.90666   2.10647
       30      14.677   9.93972   2.28602   2.10649
       31     10.4903   9.96247   3.25149   2.12072
       32     12.7407   10.1104   8.77342   2.12078
       33      11.816   10.2824   5.27907   2.12171
       34     7.96614   10.3395   8.77343   2.12195
       35      14.123   10.3529   3.62583   2.12744
       36     13.8537   10.4113   1.82653   2.12748
       37     12.7834   10.4301   3.52234   2.13902
       38     11.7295   10.4903   8.51198   2.14761
       39     9.17187   10.6556   4.45137    2.1479
       40     9.25974   10.8325     2.286   2.15589
       41     8.53864   10.8505   2.31557    2.1559
       42     12.2757   10.9936   1.82672   2.16614
       43     9.19614   11.1405   1.82672   2.16614
       44      12.285   11.1911   4.19607    2.1834
       45     11.3941   11.2383   3.52227    2.1834
       46     11.2383   11.2731   3.25155    2.2569
       47     11.1911   11.3941   8.48674     2.286
       48     9.01946   11.7295    2.9381   2.28602
       49     10.4301    11.816   4.46091   2.31555
       50     10.4113   11.9017   2.96101   2.31557
       51     9.85327   12.2707   1.48094    2.9381
       52     10.1104   12.2757   1.48094   2.93811
       53     12.4375    12.285   6.78853   2.94315
       54     13.2213   12.4301   1.50078   2.94318
       55     13.0079   12.4375   7.34264    2.9609
       56     12.2707   12.4947   1.45733   2.96101
       57     15.1161   12.5853   4.04244   2.97348
       58     14.9137   12.6353   4.15722   2.97349
       59     12.6353   12.7407    2.1559   3.25149
       60     13.6293   12.7834   5.15483   3.25155
       61     14.7716   12.9445   7.38509   3.48554
       62     15.5726   13.0079   2.12748   3.48554
       63     13.9708     13.08   4.04239   3.52227
       64     9.93972   13.1749   5.15482   3.52234
       65     13.1749   13.1868   4.15707   3.62583
       66     13.3086   13.2119    2.1479   3.62587
       67     12.5853   13.2213   8.05311   4.04239
       68     10.9936   13.2784   7.07367   4.04244
       69       13.08   13.3086   2.97349   4.15707
       70     15.8367   13.3774   7.34269   4.15722
       71     15.1514   13.6293   2.12195   4.19607
       72     10.3395   13.8537    2.9609   4.23708
       73     8.96844   13.9708   4.23708   4.45137
       74     16.4956   13.9876   2.12078   4.45139
       75     13.1868   14.0991   2.97348   4.46091
       76     13.3774    14.123   2.94318    4.4612
       77     12.4947   14.1931   2.14761   4.57016
       78     12.9445   14.5169   2.93811   5.15482
       79     14.1931    14.677   2.10647   5.15483
       80     11.1405   14.7716   7.29453   5.27907
       81     10.6556   14.9137   2.10649   5.27909
       82     14.0991   15.1161   2.12072    5.5093
       83     15.2561   15.1514   2.12744    5.5093
       84      16.264   15.2561    7.0737   6.78834
       85     12.4301    15.535   8.05267   6.78853
       86     18.4223   15.5726    1.6422   6.86165
       87     13.2119   15.8367   2.12171   7.07367
       88     11.2731   16.0561   1.61071    7.0737
       89     19.1701    16.264   1.60332   7.29429
       90     13.9876   16.4956    4.4612   7.29453
       91     18.5154   16.7555    1.6422   7.34264
       92     10.8505   18.4223   1.60328   7.34269
       93     19.1384   18.5154   8.03386   7.38509
       94     16.7555   19.1384   1.57585    7.9062
       95     20.4351   19.1701   7.29429   7.90622
       96     25.6246   19.9068   6.78834   8.03386
       97     16.0561   20.4351   2.15589   8.05267
       98     24.0809   23.8824   4.57016   8.05311
       99     28.4196   24.0809   1.57585    8.1281
      100     19.9068   25.6246   1.61069   8.48674
      101     32.7884   27.6448   7.90622   8.51198
      102     27.6448   28.4196   2.94315   8.77342
      103     23.8824   32.7884    8.1281   8.77343
      104      33.984    33.984    7.9062   8.90666


Occupied orbitals :  Number of molecular orbitals : 15
Occupied orbitals before localization Average : 10.7246073689; Median : 9.96246856898; Variance : 4.76852042161; Standard deviation : 2.18369421431
Occupied orbitals after localization Average : 2.81209831019; Median : 2.16614172541; Variance : 2.76872900708; Standard deviation : 1.66394982108


Core orbitals :  Number of molecular orbitals : 6
Core orbitalses before localization :  Average : 11.2405228245; Median : 11.1272935327; Variance : 6.18776099006; Standard deviation : 2.48752105319
Core orbitals after localization :  Average : 2.051360763; Median : 2.08209120854; Variance : 0.0238434141109; Standard deviation : 0.154413128039


Valence orbitals :  Number of molecular orbitals : 9
Valence orbitals before localization :  Average : 10.3806637318; Median : 9.90751398072; Variance : 4.14484917241; Standard deviation : 2.03589026532
Valence rbitals after localization :  Average : 3.31925667498; Median : 2.18339939702; Variance : 4.10697160894; Standard deviation : 2.02656645806


Virtual orbitals :  Number of molecular orbitals : 89
Virtual orbitals before localization :  Average : 13.1370148252; Median : 12.5852795145; Variance : 34.5230933723; Standard deviation : 5.87563557177
Virtual orbitals after localization :  Average : 3.78443819941; Median : 2.97348487431; Variance : 6.20840518474; Standard deviation : 2.49166714967

+ qp set_file pyrimidine.localized
+ case $1 in
+ [[ -d pyrimidine.localized ]]
+ ezfio set_file pyrimidine.localized
+ case $1 in
+ shift
+ _ezfio_set_file pyrimidine.localized
+ _require_first_argument pyrimidine.localized
+ [[ -z pyrimidine.localized ]]
+ return 0
+ [[ ! -d pyrimidine.localized ]]
+ export EZFIO_FILE=pyrimidine.localized
+ EZFIO_FILE=pyrimidine.localized
+ _ezfio_info 'Set file pyrimidine.localized'
+ :
+ return 0
+ qp set determinants n_states 1
+ case $1 in
+ ezfio set determinants n_states 1
+ case $1 in
+ shift
+ _ezfio_set determinants n_states 1
+ _require_ezfio_file
+ [[ -z pyrimidine.localized ]]
+ [[ ! -d pyrimidine.localized ]]
+ _require_first_argument determinants n_states 1
+ [[ -z determinants ]]
+ return 0
+ _require_second_argument determinants n_states 1
+ [[ -z n_states ]]
+ [[ -z 1 ]]
+ _ezfio_py set determinants n_states
+ echo 1
+ python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants n_states
+ return 0
+ qp set determinants read_wf False
+ case $1 in
+ ezfio set determinants read_wf False
+ case $1 in
+ shift
+ _ezfio_set determinants read_wf False
+ _require_ezfio_file
+ [[ -z pyrimidine.localized ]]
+ [[ ! -d pyrimidine.localized ]]
+ _require_first_argument determinants read_wf False
+ [[ -z determinants ]]
+ return 0
+ _require_second_argument determinants read_wf False
+ [[ -z read_wf ]]
+ [[ -z False ]]
+ echo False
+ _ezfio_py set determinants read_wf
+ python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants read_wf
+ return 0
+ qp set determinants s2_eig False
+ case $1 in
+ ezfio set determinants s2_eig False
+ case $1 in
+ shift
+ _ezfio_set determinants s2_eig False
+ _require_ezfio_file
+ [[ -z pyrimidine.localized ]]
+ [[ ! -d pyrimidine.localized ]]
+ _require_first_argument determinants s2_eig False
+ [[ -z determinants ]]
+ return 0
+ _require_second_argument determinants s2_eig False
+ [[ -z s2_eig ]]
+ [[ -z False ]]
+ _ezfio_py set determinants s2_eig
+ echo False
+ python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants s2_eig
+ return 0
+ qp set determinants n_det_max 1e8
+ case $1 in
+ ezfio set determinants n_det_max 1e8
+ case $1 in
+ shift
+ _ezfio_set determinants n_det_max 1e8
+ _require_ezfio_file
+ [[ -z pyrimidine.localized ]]
+ [[ ! -d pyrimidine.localized ]]
+ _require_first_argument determinants n_det_max 1e8
+ [[ -z determinants ]]
+ return 0
+ _require_second_argument determinants n_det_max 1e8
+ [[ -z n_det_max ]]
+ [[ -z 1e8 ]]
+ echo 1e8
+ _ezfio_py set determinants n_det_max
+ python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants n_det_max
+ return 0
+ qp run fci
+ case $1 in
+ which qp_run
+ [[ 0 -eq 0 ]]
+ COMMAND='qp_$@'
+ eval 'qp_$@' pyrimidine.localized
++ qp_run fci pyrimidine.localized
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