File Name: Compound_1o SCF energy: –586.836684 hartree Zero-point correction: +0.386423 hartree Enthalpy correction: +0.406795 hartree Free energy correction: +0.339962 hartree Truhlar's Delta G correction: +0.343099 hartree Grimme's Delta G correction: +0.342544 hartree Cartesian Coordinates C 0.70077 0.41806 -0.01664 C -0.67232 0.45351 -0.00343 C -0.01609 -0.75339 -0.03475 C -1.96131 1.19375 0.00437 C -2.91018 0.50219 0.99375 C -1.73514 2.65645 0.39099 C -2.52572 1.09210 -1.42697 H -2.50954 0.52954 2.01181 H -3.86897 1.02917 0.98819 H -3.08778 -0.53962 0.71045 H -1.06444 3.15354 -0.31547 H -2.69476 3.18168 0.38283 H -1.30988 2.73726 1.39631 H -3.48516 1.61749 -1.45269 H -1.85475 1.56029 -2.15311 H -2.69188 0.04960 -1.71485 C 2.03156 1.08135 -0.00220 C 2.77607 0.57049 1.24447 C 2.77794 0.64109 -1.27428 C 1.87534 2.60206 0.03786 H 2.25094 0.84815 2.16328 H 2.89262 -0.51723 1.21557 H 3.77108 1.02504 1.26470 H 2.90494 -0.44481 -1.30293 H 2.24865 0.96181 -2.17653 H 3.76798 1.10679 -1.27211 H 1.33304 2.92101 0.93297 H 2.86651 3.06481 0.05339 H 1.34117 2.96588 -0.84523 C -0.06364 -2.23773 -0.01360 C -0.29288 -2.62236 1.46364 C -1.23893 -2.71973 -0.87283 C 1.26312 -2.81144 -0.51842 H -0.34658 -3.71345 1.52584 H 0.52978 -2.27881 2.09800 H -1.23192 -2.20569 1.84037 H -2.18891 -2.32293 -0.50273 H -1.11356 -2.42073 -1.91800 H -1.28263 -3.81219 -0.83185 H 2.10311 -2.45677 0.08717 H 1.22984 -3.90310 -0.45468 H 1.43947 -2.53527 -1.56248