%chk=000145415.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000145415 0 1 O 1.886600 -2.1299999E-02 -0.9357000 O 0.8667000 0.6459000 1.052200 C 0.6841000 -7.0600003E-02 -0.1687000 C 0.3546000 -1.534200 0.1649000 C -0.4339000 0.5788000 -1.000800 C -1.020100 -1.686400 0.8202000 C -2.123000 -1.059000 -3.2000002E-02 C -1.787400 0.3691000 -0.3700000 C -2.622600 1.384800 -0.1075000 C 2.971400 -0.6049000 -0.2316000 C 1.223600 1.997600 0.8088000 H 1.084000 -1.955300 0.8668000 H 0.3998000 -2.146000 -0.7453000 H -0.4502000 0.1058000 -1.993300 H -0.2444000 1.636500 -1.212000 H -1.009300 -1.218900 1.813000 H -1.236700 -2.750000 0.9737000 H -3.077500 -1.131400 0.5026000 H -2.237100 -1.626800 -0.9637000 H -2.358200 2.408700 -0.3498000 H -3.588800 1.215100 0.3555000 H 2.936800 -1.696500 -0.2946000 H 3.046700 -0.2803000 0.8103000 H 3.891500 -0.2926000 -0.7357000 H 0.3358000 2.605300 0.6121000 H 1.964700 2.130100 1.5500000E-02 H 1.665300 2.386600 1.731900 %chk=000145415-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000145415 0 1 O 1.896880 -0.028226 -1.007470 O 0.897690 0.555866 1.109833 C 0.688861 -0.129733 -0.172774 C 0.336446 -1.577972 0.221943 C -0.417610 0.508686 -1.046981 C -1.047374 -1.651005 0.908719 C -2.158095 -1.030811 0.017973 C -1.793895 0.382406 -0.412806 C -2.625645 1.444664 -0.259173 C 3.113811 -0.605383 -0.417250 C 1.126650 2.005219 1.025873 H 1.113294 -1.970593 0.902187 H 0.343443 -2.192661 -0.699437 H -0.395556 -0.034361 -2.012768 H -0.162412 1.559720 -1.266119 H -0.995485 -1.100583 1.865587 H -1.294679 -2.705074 1.138271 H -3.127618 -1.038423 0.548426 H -2.273993 -1.664562 -0.888257 H -2.338674 2.452858 -0.582617 H -3.620785 1.335467 0.188034 H 3.101833 -1.711895 -0.462912 H 3.239370 -0.280249 0.632614 H 3.945820 -0.226364 -1.031906 H 0.179329 2.550416 0.851987 H 1.854250 2.249097 0.228640 H 1.536544 2.293596 2.007181