%chk=000139848.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000139848 0 1 O -1.066400 -0.2677000 -0.4288000 O -0.8757000 0.9177000 0.3947000 C -2.289900 -0.8362000 1.4500000E-02 C 0.3552000 1.486600 -5.3700000E-02 C -3.404900 0.1881000 -0.1914000 C -2.547000 -2.086300 -0.8242000 C -2.150200 -1.199900 1.492000 C 0.2118000 1.852200 -1.530800 C 0.6121000 2.737100 0.7850000 C 1.443600 0.5118000 0.1361000 C 2.330300 -0.2839000 0.2893000 C 3.377900 -1.223400 0.4750000 C 4.003300 -1.796000 -0.5579000 H -3.411100 0.5538000 -1.224700 H -4.386200 -0.2482000 2.4900001E-02 H -3.291000 1.067800 0.4516000 H -1.725100 -2.803400 -0.7161000 H -2.600400 -1.835800 -1.890000 H -3.479900 -2.582400 -0.5374000 H -2.033200 -0.3183000 2.131800 H -3.029700 -1.747100 1.848800 H -1.265400 -1.825800 1.656500 H -0.6745000 2.476500 -1.693700 H 9.8999999E-02 0.9709000 -2.173100 H 1.089800 2.400000 -1.892300 H -0.2093000 3.454900 0.6773000 H 1.546900 3.233800 0.5023000 H 0.6692000 2.489100 1.851900 H 3.670300 -1.475800 1.488900 H 4.800900 -2.511100 -0.3861000 H 3.740200 -1.570400 -1.586300 %chk=000139848-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000139848 0 1 O -1.413288 0.123581 -0.851135 O -1.058794 1.310746 0.073053 C -2.249838 -0.834986 -0.054825 C 0.341160 1.732969 -0.266652 C -3.540331 -0.131490 0.412465 C -2.539446 -1.906398 -1.129777 C -1.443667 -1.412032 1.124301 C 0.436242 2.099748 -1.764965 C 0.502716 2.975911 0.644195 C 1.313704 0.678500 0.093500 C 2.134163 -0.201869 0.385372 C 3.089739 -1.197014 0.768991 C 3.411676 -2.301551 0.032418 H -4.081153 0.293662 -0.451083 H -4.204533 -0.849218 0.928051 H -3.301238 0.688402 1.110244 H -1.600627 -2.362058 -1.489496 H -3.072131 -1.465647 -1.990047 H -3.170894 -2.700919 -0.693216 H -1.144053 -0.604439 1.812941 H -2.055962 -2.143399 1.683610 H -0.530025 -1.915003 0.763738 H -0.305656 2.883234 -1.997994 H 0.227741 1.216285 -2.388033 H 1.447270 2.474941 -2.002479 H -0.265347 3.725528 0.388264 H 1.502382 3.417357 0.491461 H 0.396869 2.698644 1.705993 H 3.588343 -1.042749 1.737610 H 4.151696 -3.022627 0.395419 H 2.943880 -2.499508 -0.937824