%chk=000108505.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108505 0 1 O -2.567300 0.3640000 0.8392000 O -2.746400 -1.215400 -0.9098000 C 5.5300001E-02 1.664300 -0.1998000 C -0.1447000 0.3209000 -0.9087000 C 0.5391000 2.738500 -1.177200 C -0.5972000 -0.7819000 3.3599999E-02 C -2.087800 -0.8844000 0.3206000 C 0.7712000 4.071900 -0.4670000 C 0.3353000 -1.577000 0.5980000 C 1.283700 5.133000 -1.427500 C 1.782700 -1.483900 0.3897000 C -2.284500 0.5339000 2.222600 C -4.036800 -1.774500 -0.7023000 C 2.386700 -2.203400 -0.6416000 C 2.556900 -0.6759000 1.222700 C -2.826100 1.873000 2.675600 C -4.658000 -2.093000 -2.045600 C 3.764600 -2.115100 -0.8398000 C 3.934800 -0.5876000 1.024300 C 4.538500 -1.307200 -6.8999999E-03 H -0.8819000 2.012900 0.2405000 H 0.7761000 1.563100 0.6184000 H -0.8949000 0.4397000 -1.701400 H 0.7719000 4.8200000E-02 -1.443800 H 1.472800 2.409200 -1.649500 H -0.1998000 2.869700 -1.977100 H -2.274500 -1.687100 1.047100 H -0.1635000 4.418600 -1.1200000E-02 H 1.498200 3.941100 0.3432000 H 2.6600000E-02 -2.358700 1.288000 H 0.5659000 5.310800 -2.234700 H 1.441600 6.078300 -0.8989000 H 2.236000 4.830700 -1.874500 H -2.765200 -0.2665000 2.796100 H -1.205200 0.4979000 2.402900 H -3.952200 -2.693700 -0.1120000 H -4.667500 -1.060700 -0.1612000 H 1.796600 -2.837300 -1.299100 H 2.101900 -0.1121000 2.033500 H -2.634700 2.031300 3.740600 H -3.905100 1.932000 2.498300 H -2.366300 2.689900 2.110300 H -4.739700 -1.188000 -2.656600 H -5.654200 -2.527000 -1.922700 H -4.031700 -2.797500 -2.602800 H 4.234900 -2.675100 -1.642800 H 4.537800 4.0899999E-02 1.673200 H 5.611400 -1.238500 -0.1612000 %chk=000108505-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000108505 0 1 O -2.415744 0.348333 1.112855 O -2.616813 -0.994238 -0.805492 C -0.028499 1.763882 -0.636163 C -0.059113 0.263511 -1.050620 C 0.319312 2.689996 -1.822389 C -0.395180 -0.692422 0.078206 C -1.871742 -0.852465 0.411974 C 0.335244 4.187236 -1.438297 C 0.487578 -1.437726 0.818576 C 0.681749 5.110667 -2.626658 C 1.964255 -1.499095 0.779115 C -2.081864 0.383653 2.547200 C -4.044330 -1.330323 -0.598372 C 2.809266 -0.441012 0.330808 C 2.592589 -2.688192 1.256410 C -2.780091 1.603269 3.149278 C -4.678642 -1.464358 -1.981150 C 4.213225 -0.583529 0.333314 C 3.994612 -2.833089 1.254725 C 4.815478 -1.779860 0.787278 H -1.016773 2.033077 -0.220167 H 0.707144 1.916960 0.181188 H -0.832278 0.143344 -1.832428 H 0.911296 -0.014520 -1.502733 H 1.310037 2.408137 -2.238825 H -0.416485 2.529935 -2.638032 H -2.035909 -1.730981 1.086940 H -0.656453 4.466267 -1.027690 H 1.066341 4.346186 -0.619114 H 0.041328 -2.146982 1.535784 H -0.052437 4.992838 -3.446048 H 0.685673 6.174981 -2.326754 H 1.681291 4.870857 -3.036421 H -2.429106 -0.555879 3.034489 H -0.981663 0.449910 2.679058 H -4.111014 -2.284260 -0.029689 H -4.520052 -0.528957 -0.003036 H 2.372478 0.509049 0.013504 H 1.963841 -3.510359 1.621079 H -2.564867 1.674791 4.231265 H -3.873319 1.534546 3.012449 H -2.428990 2.528799 2.660968 H -4.596870 -0.513273 -2.534768 H -5.749041 -1.724574 -1.888410 H -4.174548 -2.251494 -2.568031 H 4.840780 0.246951 -0.010124 H 4.447569 -3.761789 1.619922 H 5.906034 -1.885499 0.787726