22 2T B3LYP/cc-pvdz geometry N 0.000000 0.009080 0.000000 C 1.224802 0.716230 0.000000 C -1.224802 0.716230 0.000000 C 2.437473 -0.010534 0.000000 C -2.437473 -0.010534 0.000000 H 3.363630 0.562441 0.000000 H -3.363630 0.562441 0.000000 C 1.201735 2.129808 0.000000 C -1.201735 2.129808 0.000000 H 2.161023 2.645400 0.000000 H -2.161023 2.645400 0.000000 C 0.000000 2.821547 0.000000 H 0.000000 3.914218 0.000000 C 0.000000 -1.405179 0.000000 C 2.435666 -1.397141 0.000000 C -2.435666 -1.397141 0.000000 H 3.381943 -1.943483 0.000000 H -3.381943 -1.943483 0.000000 C 1.235729 -2.091996 0.000000 C -1.235729 -2.091996 0.000000 H 1.202592 -3.180558 0.000000 H -1.202592 -3.180558 0.000000