#source $HOME/load_env/load_Multiwfn.sh
Multiwfn ./S0_tdspS1.molden -nt $1 < ./ES_info.txt | tee ./ES_info.out

grep "Sr index" ./ES_info.out |nl >> ES_results.out; echo >> ES_results.out
grep "D index" ./ES_info.out |nl >> ES_results.out; echo >> ES_results.out
grep "RMSD of hole in" ./ES_info.out |nl >> ES_results.out; echo >> ES_results.out
grep "RMSD of electron in" ./ES_info.out |nl >> ES_results.out; echo >> ES_results.out
grep "H index" ./ES_info.out |nl >> ES_results.out; echo >> ES_results.out
grep " t index" ./ES_info.out |nl >> ES_results.out; echo >> ES_results.out
grep "Delta_r =" ./ES_info.out |nl >> ES_results.out; echo >> ES_results.out
grep "lambda =" ./ES_info.out |nl >> ES_results.out; echo >> ES_results.out
grep "Transition electric dipole moment between ground state" ./ES_info.out -A7 >> ES_results.out
grep "Transition electric dipole moment between excited states" ./ES_info.out -A17 >> ES_results.out
