# opt=(ts,noeigentest,calcfc,maxstep=10) freq=noraman m062x/def2tzvpp pop=npa empiricaldispersion=gd3 scf=(maxconventionalcycles=150,xqc) guess=mix Title 0 2 B -0.1793510 -1.4825120 -0.5118720 B -0.3320520 1.3800990 -0.8014190 B -0.5969670 0.1800770 1.8071900 B 0.5271730 1.0232640 0.7167680 B -0.7704080 -0.1701310 -1.5614070 B -1.8977420 -1.0212460 -0.4818240 B -1.1867250 1.4990070 0.7534070 B 0.6197830 -0.7445880 0.8969500 I 0.4770750 -3.3779270 -1.3195720 I 0.1168140 3.1376010 -1.9785580 I -0.6626660 0.3934400 3.9422970 I 2.0766650 2.3239190 1.4825410 I -0.8925330 -0.3916790 -3.7091450 I -3.5323750 -2.2601880 -1.1146450 I -1.9611700 3.3071360 1.6129170 I 2.2643630 -1.7106270 1.9208810 C 2.8267700 -0.1688720 -2.1369440 H 2.2082160 -0.8348630 -2.7260490 C 3.7750100 -0.6447670 -1.3226150 H 3.8839060 -1.7145870 -1.1834840 H 2.7188780 0.8960680 -2.3167030 B -1.0355570 -1.3772790 1.0435360 I -1.6286030 -3.0479970 2.2540820 C 4.6606100 0.2291960 -0.5307750 I 6.7345110 0.0295080 -1.1867850 H 4.4314170 1.2827810 -0.6457280 H 4.7052330 -0.0407690 0.5196890 B 0.7080580 -0.0012330 -0.6689760 C -2.0152530 0.0104010 0.8736160 H -2.9560310 0.0149350 1.4061810 C -1.9924150 0.7568370 -0.6606420 H -2.8650008 1.2096845 -1.0830437