%chk=000151372.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000151372 0 1 O -0.2852000 3.096700 -1.234900 O -2.089800 -3.346100 -1.173000 O 4.949800 -1.450200 3.8199998E-02 C 0.3414000 0.1753000 0.1097000 C -0.1064000 -1.168400 0.1244000 C -0.6602000 1.179700 0.1220000 C -1.480200 -1.465900 0.1498000 C -2.037300 0.8872000 0.1475000 C -2.452300 -0.4567000 0.1617000 C 1.756800 0.4440000 8.3800003E-02 C 2.668400 -0.6438000 7.3600002E-02 C 0.8218000 -2.213000 0.1136000 C -0.3553000 2.650400 0.1101000 C 2.188100 -1.955100 8.8600002E-02 C -1.930400 -2.903800 0.1641000 C -3.007700 1.904100 0.1593000 C -3.825300 -0.7557000 0.1872000 C 2.321000 1.744800 6.7500003E-02 C 4.055100 -0.4161000 4.8300002E-02 C -4.367600 1.594000 0.1848000 C -4.776300 0.2645000 0.1988000 C 3.702000 1.957500 4.2399999E-02 C 4.569400 0.8764000 3.2800000E-02 H 0.5564000 -3.263800 9.0700001E-02 H -1.111900 3.259200 0.6076000 H 0.4392000 2.959200 0.7889000 H 2.864900 -2.807100 7.4199997E-02 H -1.253700 -3.578500 0.6940000 H -2.864400 -3.066800 0.7072000 H -2.816700 2.967200 8.7399997E-02 H -4.222200 -1.764400 0.1689000 H 1.832900 2.672600 -0.1431000 H -5.108100 2.388800 0.1782000 H -5.834900 2.1600001E-02 0.2086000 H 4.097300 2.968100 -1.5200000E-02 H 5.640800 1.054500 3.0000000E-03 H -0.1035000 4.051600 -1.210400 H -1.306600 -3.081400 -1.684500 H 5.854800 -1.094800 2.1500001E-02 %chk=000151372-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000151372 0 1 O -0.270801 3.547970 -0.492449 O -2.496322 -3.481089 -1.042998 O 5.000493 -1.400594 0.327757 C 0.345926 0.193611 0.129597 C -0.092237 -1.203748 0.196995 C -0.633430 1.220875 0.255785 C -1.478604 -1.530441 0.158383 C -2.029839 0.897634 0.132465 C -2.454451 -0.486395 0.034650 C 1.789183 0.472284 -0.035715 C 2.735065 -0.590588 0.179270 C 0.924326 -2.231528 0.360501 C -0.275445 2.631666 0.682741 C 2.268093 -1.936656 0.413741 C -1.971038 -2.966479 0.247764 C -3.033209 1.929197 0.081393 C -3.856172 -0.773024 -0.132053 C 2.285126 1.736061 -0.488944 C 4.134894 -0.320601 0.067889 C -4.383425 1.617323 -0.065593 C -4.799127 0.251594 -0.174779 C 3.665789 1.962877 -0.613097 C 4.607081 0.947829 -0.306669 H 0.618680 -3.275389 0.464095 H -1.028566 2.984829 1.414542 H 0.715426 2.640756 1.173588 H 3.011847 -2.721992 0.571811 H -1.197646 -3.652795 0.631132 H -2.837744 -3.038727 0.925041 H -2.721073 2.977069 0.091759 H -4.173499 -1.810430 -0.266110 H 1.585295 2.513155 -0.811843 H -5.128594 2.418410 -0.124704 H -5.860173 0.015790 -0.312398 H 4.023742 2.933847 -0.972321 H 5.683671 1.141278 -0.398001 H -0.112389 4.472676 -0.168711 H -1.839692 -3.269122 -1.754345 H 5.942938 -1.131333 0.197126