# opt=(ts,noeigentest,calcfc,maxstep=15) freq=noraman m062x/def2tzvpp pop=npa empiricaldispersion=gd3 scf=(maxconventionalcycles=150,xqc) guess=mix Title 0 2 B -1.9470210 0.1382930 0.0168460 B -0.8682340 -0.8832300 0.9839610 B 0.4388020 -1.4739020 -0.0667680 B 0.1690000 -0.8149440 -1.6957440 B -1.0122390 1.5498350 -0.5404360 B -0.7426230 0.8875800 1.0864190 B 0.6415930 1.3958270 0.0907010 B 1.3703690 -0.0652420 -0.6245000 I -4.0791130 0.2716430 0.2555530 I -1.6519270 -2.0752260 2.6180710 I 1.3540200 -3.4201960 0.1954430 I 0.5939480 -1.8329930 -3.5433020 I -2.0187440 3.3981450 -0.9868850 I -1.3638630 1.9972970 2.8400530 I 1.7715820 3.2009890 0.5311630 I 3.4740190 -0.2172590 -1.1641650 I 1.8193390 -0.5380360 3.0729380 C 3.7245750 0.6711730 2.4118590 H 3.4678180 0.9863270 1.4123200 H 3.6751450 1.4733540 3.1385130 C 4.8539160 -0.2353480 2.5352570 H 5.0324470 -0.8943650 1.6920700 C 5.6094890 -0.3287470 3.6312620 H 6.4238060 -1.0367310 3.6988450 H 5.4323420 0.3105310 4.4881330 B 0.7105420 -0.1015580 1.0001310 C -1.2121430 0.1680770 -1.5190530 H -1.8599320 0.2648690 -2.3794960 B -1.2157250 -1.3244970 -0.6970340 I -2.4973038 -3.0065666 -1.3391379 C 0.2963520 0.9615250 -1.5984610 H 0.5861316 1.5267571 -2.4595304