%chk=000041236.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000041236 0 1 C 0.9371000 -0.8164000 0.1941000 C 1.349200 0.5610000 -0.3809000 C -0.2924000 -0.7404000 1.100500 C -1.468100 -8.2000002E-02 0.3810000 C 2.099200 -1.510700 0.9213000 C 2.602100 0.4117000 -1.262200 C 3.334000 -1.628300 3.1599998E-02 C -1.843200 -0.8725000 -0.8798000 C -2.673400 5.0600000E-02 1.321400 C 3.757000 -0.2804000 -0.5417000 C 1.559400 1.642000 0.6863000 C -3.051100 -0.2636000 -1.588400 C -3.880000 0.6579000 0.6093000 C -4.244400 -0.1253000 -0.6482000 C 1.814500 2.996500 5.5599999E-02 H 0.7084000 -1.473500 -0.6545000 H 0.5606000 0.9084000 -1.059600 H -6.2100001E-02 -0.2021000 2.027500 H -0.5741000 -1.756100 1.409500 H -1.209000 0.9406000 8.5100003E-02 H 1.793600 -2.514800 1.239800 H 2.359200 -0.9596000 1.833300 H 2.938500 1.366700 -1.675500 H 2.332800 -0.1990000 -2.135300 H 3.122800 -2.322400 -0.7914000 H 4.161600 -2.060600 0.6054000 H -2.064200 -1.915200 -0.6186000 H -1.027200 -0.8881000 -1.607900 H -2.409900 0.6769000 2.182200 H -2.948200 -0.9353000 1.717900 H 4.139300 0.3603000 0.2608000 H 4.585900 -0.4297000 -1.243400 H 2.381700 1.392600 1.364600 H 0.6650000 1.744300 1.308500 H -3.328900 -0.8873000 -2.445600 H -2.782500 0.7233000 -1.985000 H -3.659700 1.698400 0.3405000 H -4.737500 0.6794000 1.291200 H -5.068500 0.3753000 -1.168900 H -4.603500 -1.122500 -0.3655000 H 2.813400 3.066300 -0.3836000 H 1.071900 3.232300 -0.7133000 H 1.755000 3.776900 0.8223000 %chk=000041236-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000041236 0 1 C 0.997038 -0.796043 0.157115 C 1.456307 0.579454 -0.434206 C -0.305469 -0.736797 0.999591 C -1.543912 -0.097192 0.321762 C 2.137919 -1.465274 0.971225 C 2.735661 0.354806 -1.291913 C 3.424408 -1.646336 0.131130 C -1.975641 -0.845770 -0.967140 C -2.732107 -0.027587 1.317849 C 3.884489 -0.307632 -0.493787 C 1.634968 1.687179 0.642773 C -3.239528 -0.224014 -1.608541 C -3.993627 0.602540 0.683150 C -4.411648 -0.153121 -0.600754 C 1.930083 3.086661 0.056593 H 0.804960 -1.456938 -0.717859 H 0.658821 0.934643 -1.123046 H -0.100728 -0.197116 1.948242 H -0.568102 -1.775774 1.295692 H -1.293906 0.948795 0.035787 H 1.790736 -2.449445 1.346117 H 2.364178 -0.853304 1.869143 H 3.077811 1.310404 -1.733271 H 2.473726 -0.305904 -2.145328 H 3.223718 -2.373295 -0.683900 H 4.231739 -2.079167 0.754166 H -2.179067 -1.907809 -0.710125 H -1.147942 -0.849475 -1.702937 H -2.430829 0.545832 2.217933 H -2.971849 -1.056466 1.662597 H 4.230604 0.374946 0.308935 H 4.754917 -0.476412 -1.157780 H 2.441734 1.410475 1.349092 H 0.707934 1.749780 1.245527 H -3.537177 -0.806799 -2.502518 H -3.001731 0.801641 -1.960871 H -3.784261 1.662679 0.428569 H -4.826878 0.607749 1.413082 H -5.290057 0.334734 -1.066935 H -4.721817 -1.184374 -0.330858 H 2.911155 3.124053 -0.450745 H 1.159331 3.375138 -0.684028 H 1.938339 3.856134 0.850870