%chk=000018316.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000018316 0 1 O 5.849400 0.4087000 -1.7999999E-02 O 7.261100 -1.420700 -4.0899999E-02 C -2.893800 -0.3728000 7.7600002E-02 C -1.593300 0.4354000 0.1054000 C -4.152400 0.4992000 7.2999999E-02 C -0.3349000 -0.4352000 8.5100003E-02 C -5.418500 -0.3605000 3.3000000E-02 C 0.9320000 0.4233000 8.2599998E-02 C -6.710900 0.4607000 -3.7000000E-03 C 2.192000 -0.4439000 9.6100003E-02 C -8.011500 -0.3471000 -6.5899998E-02 C 3.456000 0.4120000 6.0100000E-02 C -9.302700 0.4743000 -4.6200000E-02 C 4.714000 -0.4444000 2.9999999E-02 C -10.55980 -0.3687000 -0.1928000 C 7.062300 -0.2162000 -4.9699999E-02 C 8.111200 0.8234000 -9.5100001E-02 C 9.399800 0.4724000 -0.1306000 H -2.918500 -1.040100 0.9480000 H -2.895900 -1.013800 -0.8128000 H -1.583300 1.066400 1.002800 H -1.577000 1.112700 -0.7575000 H -4.133200 1.166100 -0.7972000 H -4.165400 1.132900 0.9676000 H -0.3467000 -1.076900 -0.8041000 H -0.3339000 -1.095000 0.9610000 H -5.387800 -1.010600 -0.8502000 H -5.439100 -1.019000 0.9100000 H 0.9365000 1.066300 -0.8061000 H 0.9325000 1.082700 0.9590000 H -6.677900 1.133800 -0.8698000 H -6.742000 1.103300 0.8853000 H 2.180900 -1.117800 -0.7692000 H 2.197800 -1.072200 0.9950000 H -8.029700 -1.049100 0.7773000 H -7.994600 -0.9593000 -0.9765000 H 3.445100 1.068600 -0.8191000 H 3.489100 1.078300 0.9312000 H -9.357400 1.039500 0.8917000 H -9.274800 1.209600 -0.8590000 H 4.764000 -1.069100 0.9296000 H 4.706800 -1.091000 -0.8555000 H -10.55510 -0.9154000 -1.141100 H -11.44960 0.2680000 -0.1705000 H -10.63910 -1.095100 0.6221000 H 7.820000 1.867800 -9.8999999E-02 H 10.16950 1.236400 -0.1640000 H 9.722500 -0.5629000 -0.1278000 %chk=000018316-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000018316 0 1 O 5.955545 0.445287 0.025533 O 7.370122 -1.417103 0.002413 C -2.929400 -0.404792 -0.008268 C -1.630572 0.432478 0.000537 C -4.212836 0.455922 -0.003416 C -0.347217 -0.428352 -0.004814 C -5.511943 -0.380958 -0.011549 C 0.950220 0.410655 0.005486 C -6.795620 0.479717 -0.006774 C 2.233032 -0.450933 -0.001045 C -8.094919 -0.357087 -0.015037 C 3.524167 0.400961 0.013151 C -9.378787 0.504199 -0.009767 C 4.778338 -0.472323 0.004924 C -10.671435 -0.340382 -0.018257 C 7.213375 -0.170732 0.022250 C 8.281665 0.862990 0.045316 C 9.595141 0.518138 0.046644 H -2.936970 -1.078437 0.874228 H -2.934144 -1.064173 -0.901497 H -1.626064 1.091553 0.893976 H -1.623553 1.106266 -0.881828 H -4.205678 1.129242 -0.886215 H -4.208026 1.115791 0.889511 H -0.351596 -1.086555 -0.898831 H -0.355084 -1.102741 0.877030 H -5.516999 -1.040845 -0.904437 H -5.519406 -1.054308 0.871204 H 0.957617 1.085349 -0.875822 H 0.954848 1.067739 0.900035 H -6.788378 1.153096 -0.889568 H -6.790883 1.139505 0.886254 H 2.228344 -1.105782 -0.897187 H 2.223193 -1.126856 0.879265 H -8.103727 -1.030680 0.867571 H -8.101493 -1.016705 -0.908167 H 3.541814 1.071659 -0.867419 H 3.537444 1.048119 0.911252 H -9.371076 1.162778 0.882849 H -9.368845 1.177046 -0.891641 H 4.835056 -1.134071 0.889527 H 4.843718 -1.105147 -0.900010 H -10.717723 -0.983880 -0.917226 H -11.574364 0.297737 -0.012400 H -10.718168 -1.000919 0.868248 H 7.948376 1.905870 0.061062 H 10.386637 1.274435 0.063700 H 9.889954 -0.537770 0.030409