%chk=000043716.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000043716 0 1 O -2.949100 -0.4004000 0.1779000 O 3.100500 -1.948000 0.1398000 O -2.069400 -0.7230000 -1.933600 C -0.5797000 -3.2499999E-02 0.3454000 C 0.5270000 0.6878000 -0.1330000 C 1.787800 4.9400002E-02 -0.2093000 C -1.941100 0.5818000 0.4519000 C 1.904700 -1.290500 0.1949000 C -0.4452000 -1.363000 0.7428000 C 0.4101000 2.027700 -0.5372000 C 0.7946000 -1.990900 0.6677000 C 2.894500 0.7696000 -0.6876000 C 1.520300 2.728000 -1.009800 C -2.211200 1.172100 1.814500 C 2.760100 2.100200 -1.084900 C -2.887900 -0.9696000 -1.058300 C -2.549900 2.449600 2.023500 C 3.928500 -1.878300 1.297100 C -3.994600 -1.969900 -1.201800 H -2.101000 1.351400 -0.3106000 H -1.281200 -1.932700 1.140000 H -0.5206000 2.582500 -0.4910000 H 0.8913000 -3.026200 0.9837000 H 3.877300 0.3106000 -0.7660000 H 1.417900 3.765000 -1.316400 H -2.143000 0.5095000 2.674400 H 3.623700 2.646100 -1.453600 H -2.739900 2.809600 3.028700 H -2.643000 3.153900 1.204400 H 4.872900 -2.381900 1.073300 H 3.450600 -2.391600 2.137500 H 4.142800 -0.8398000 1.567800 H -4.961400 -1.471400 -1.095400 H -3.881900 -2.757000 -0.4520000 H -3.944900 -2.425400 -2.195000 %chk=000043716-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000043716 0 1 O -2.615561 -0.851441 0.004151 O 3.741905 -1.292056 0.743366 O -4.068051 0.243798 -1.468242 C -0.308248 -0.072681 0.226104 C 0.781622 0.805702 -0.141104 C 2.148263 0.360681 0.044252 C -1.750576 0.387322 0.063649 C 2.389501 -0.949672 0.601089 C -0.018387 -1.327845 0.766685 C 0.575474 2.117348 -0.689138 C 1.321430 -1.779461 0.956700 C 3.234856 1.215950 -0.324210 C 1.651879 2.935117 -1.042746 C -2.241339 1.231333 1.227446 C 2.994066 2.482972 -0.860995 C -3.774373 -0.759564 -0.781195 C -2.913220 2.399257 1.078763 C 4.052122 -2.609712 1.300962 C -4.596164 -2.023969 -0.650282 H -1.908014 0.930990 -0.885377 H -0.845707 -1.991967 1.030842 H -0.443017 2.492969 -0.823937 H 1.489440 -2.775195 1.376151 H 4.254870 0.851803 -0.174847 H 1.465835 3.930785 -1.460523 H -2.013029 0.832986 2.225807 H 3.831279 3.131476 -1.141066 H -3.248898 2.980988 1.944418 H -3.157544 2.796296 0.086037 H 5.150454 -2.662179 1.321768 H 3.650119 -3.419570 0.661823 H 3.652447 -2.714285 2.328288 H -5.202120 -1.971144 0.272798 H -3.946293 -2.910197 -0.576722 H -5.275423 -2.114138 -1.510915