# opt freq=noraman b3lyp/def2tzvpp pop=npa empiricaldispersion=gd3bj scf=(maxconventionalcycles=150,xqc) Title -1 1 B -0.9245130 -1.2046090 0.8281150 B 0.0001290 -0.0001920 1.6779880 B 1.4561570 0.4309320 0.8281850 B -1.4597040 -0.4320250 -0.6813880 B -0.8619090 1.2546680 -0.6813840 B 0.0400450 1.5179020 0.8283280 B 0.8599390 -1.2516410 0.8277950 B -0.0402120 -1.5216100 -0.6817440 B 1.4348200 -0.5083000 -0.6816690 B 0.9269480 1.2076280 -0.6812810 B -1.4312610 0.5070620 0.8282740 I -2.1076360 -2.7462630 1.7937860 I 3.3195050 0.9824010 1.7937630 I -3.2308870 -0.9561800 -1.7963420 I -1.9078750 2.7770390 -1.7965880 I 0.0913040 3.4604770 1.7942370 I 1.9605300 -2.8534810 1.7933270 I -0.0890070 -3.3676760 -1.7970450 I 3.1754990 -1.1250900 -1.7969770 I 2.0515710 2.6727180 -1.7964840 I -3.2630410 1.1560460 1.7942450 C -0.0000330 0.0001850 -1.4618580 I 0.0002807 -0.0004989 3.8879880 C -0.0000867 0.0004017 -3.0018580 H 0.3293207 0.9539568 -3.3584017 H -0.9905685 -0.1910144 -3.3585172 C 0.9513122 -1.0962920 -3.5153784 H 1.4861736 -1.7072509 -2.8185624 C 1.1134437 -1.2902332 -4.8467939 H 0.5812953 -0.6824206 -5.5484219 H 1.7758770 -2.0537930 -5.1975908