diff --git a/output/h2_qchem_second_excitation_sf_tddft.txt b/output/h2_qchem_second_excitation_sf_tddft.txt new file mode 100644 index 0000000..4af0eac --- /dev/null +++ b/output/h2_qchem_second_excitation_sf_tddft.txt @@ -0,0 +1,51 @@ +3.7028 +3.9647 +4.2369 +4.4981 +4.7271 +4.9078 +5.0343 +5.1118 +5.1512 +5.1640 +5.1595 +5.1446 +5.1241 +5.1011 +5.0777 +5.0551 +5.0341 +5.0151 +4.9983 +4.9836 +4.9710 +4.9603 +4.9513 +4.9438 +4.9376 +4.9325 +4.9284 +4.9252 +4.9226 +4.9205 +4.9189 +4.9178 +4.9170 +4.9165 +4.9161 +4.9158 +4.9157 +4.9156 +4.9157 +4.9158 +4.9160 +4.9161 +4.9162 +4.9163 +4.9164 +4.9165 +4.9166 +4.9167 +4.9168 +4.9169 +4.9170