# opt freq=noraman m062x/def2tzvpp pop=npa empiricaldispersion=gd3 scf=(maxconventionalcycles=150,xqc) guess=mix Title 0 2 B -0.3312490 -1.4070450 -0.7165250 B -0.0202390 1.4536910 -0.5354090 B 0.6879090 0.7307730 0.9325010 B -0.6523830 0.1336430 -1.5523920 B -1.9555080 -0.6807240 -0.6562620 B -1.7621950 1.0937400 -0.5452010 B -0.9312480 1.4635650 0.9937470 B 0.4960420 -1.0376760 0.8186010 I 0.0413430 -3.2341180 -1.8022450 I 0.7793160 3.2624080 -1.3992530 I 2.3609320 1.6357230 1.9546300 I -0.7074270 0.2732790 -3.7057690 I -3.7289600 -1.5203450 -1.5238250 I -3.2970550 2.3983110 -1.2832810 I -1.4623830 3.2136960 2.1149070 I 1.9368430 -2.3944690 1.6823720 C 2.9471220 -0.6575340 -3.1797790 H 2.5586540 -1.3528450 -3.9113550 C 3.6193680 -1.0731140 -2.1147460 H 3.8087740 -2.1296410 -1.9600490 H 2.7294550 0.3940020 -3.3317510 B -1.2433100 -1.4081380 0.8129370 I -2.1505860 -3.1286330 1.7173110 C 4.0909430 -0.1545610 -1.0542060 I 6.2622840 -0.0722790 -1.0043240 H 3.7683410 0.8719380 -1.2026910 H 3.8336220 -0.4901610 -0.0538020 B 0.7911870 -0.0815120 -0.6036000 C -1.9852040 0.1292790 0.8454260 H -2.9412510 0.2016370 1.3444730 H -0.6895139 -0.1496148 3.0092515 C -0.6109620 -0.0827890 1.8337670