%chk=000026564.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000026564 1 1 F -7.399500 1.465800 -0.8661000 O -2.150100 -0.5709000 1.900100 N 1.704500 -0.5716000 -0.1261000 C 3.995500 -0.8839000 -0.6089000 C 3.776000 -0.4450000 0.8620000 C 4.907900 0.1536000 -1.321600 C 4.580700 0.8433000 1.163300 C 4.289200 1.569500 -1.245100 C 4.114700 1.990000 0.2323000 C 2.600400 -1.054900 -1.201200 C 2.300000 -0.2550000 0.9628000 C 6.191500 0.2029000 -0.5079000 C 6.020400 0.5510000 0.7797000 C 0.2515000 -0.4919000 -0.3418000 C -0.3740000 -1.835100 1.6200000E-02 C -1.895900 -1.824200 -0.1466000 C -2.596400 -0.8497000 0.7898000 C -3.878900 -0.2316000 0.3476000 C -4.696100 -0.9416000 -0.5030000 C -4.198700 1.026700 0.8066000 C -5.896100 -0.3631000 -0.9167000 C -5.398800 1.605300 0.3932000 C -6.247600 0.9103000 -0.4685000 H 4.506300 -1.857400 -0.6288000 H 4.064700 -1.245600 1.555100 H 5.106900 -0.1360000 -2.358000 H 4.494100 1.137500 2.213800 H 3.325000 1.611100 -1.762800 H 4.940100 2.292900 -1.753200 H 4.704100 2.895800 0.4254000 H 3.070300 2.259100 0.4266000 H 2.423100 -0.4713000 -2.108400 H 2.364200 -2.108000 -1.382100 H 1.777500 9.4300002E-02 1.859700 H 7.156200 -3.3199999E-02 -0.9364000 H 6.834200 0.6264000 1.488100 H -0.1344000 0.3219000 0.2810000 H 7.6099999E-02 -0.2310000 -1.390900 H -0.1204000 -2.108000 1.049100 H 3.7900001E-02 -2.625800 -0.6237000 H -2.289500 -2.825700 6.0899999E-02 H -2.127000 -1.571200 -1.187400 H -4.455000 -1.940400 -0.8517000 H -3.544800 1.580800 1.473000 H -6.559200 -0.9052000 -1.584500 H -5.672100 2.597300 0.7407000 %chk=000026564-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000026564 1 1 F -7.460188 1.169157 1.284175 O -1.190134 0.005043 0.651322 N 1.717756 -0.682993 -0.829236 C 4.001285 -0.994615 -0.090549 C 3.168485 -0.125605 0.931178 C 5.222593 -0.142376 -0.586441 C 3.878677 1.272867 1.160742 C 4.713578 1.180764 -1.253253 C 3.925750 2.034500 -0.204315 C 2.986272 -1.405890 -1.196972 C 1.815097 -0.028055 0.307801 C 6.015251 0.243854 0.656707 C 5.312002 0.967275 1.571437 C 0.481902 -0.800125 -1.655325 C -0.438608 -1.961803 -1.160566 C -1.923011 -1.550058 -1.070087 C -2.180656 -0.496420 0.021057 C -3.573580 -0.080593 0.322580 C -4.695136 -0.606706 -0.382779 C -3.789866 0.875379 1.358625 C -6.001272 -0.190916 -0.067007 C -5.086915 1.300124 1.688739 C -6.166515 0.754512 0.964287 H 4.388314 -1.896924 0.408795 H 3.073755 -0.612570 1.921032 H 5.828915 -0.728661 -1.298316 H 3.333546 1.854139 1.923411 H 4.084237 0.957388 -2.136531 H 5.585094 1.739411 -1.632852 H 4.418995 3.007404 -0.043966 H 2.898799 2.255982 -0.556236 H 3.285996 -1.101979 -2.215199 H 2.773840 -2.489719 -1.208225 H 0.934931 0.487713 0.708131 H 7.064935 -0.039653 0.778412 H 5.724019 1.333422 2.516431 H -0.046133 0.163198 -1.594422 H 0.802917 -0.958103 -2.698933 H -0.106330 -2.281386 -0.156672 H -0.341198 -2.831873 -1.833163 H -2.534090 -2.447869 -0.855768 H -2.291058 -1.165222 -2.042884 H -4.561320 -1.342156 -1.181823 H -2.921649 1.269465 1.895209 H -6.876109 -0.580572 -0.594241 H -5.274672 2.029446 2.481292