%chk=000032501.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000032501 1 1 O 1.812000 -0.5326000 -0.1298000 N -1.877200 6.3000000E-03 2.6799999E-02 C -0.5721000 -0.7763000 3.8000001E-03 C -1.976200 0.8648000 -1.226000 C -3.049300 -0.9636000 7.1099997E-02 C -1.911600 0.9000000 1.258100 C 0.5911000 0.1929000 -7.1599998E-02 C 2.884700 0.2922000 -0.2072000 C 4.098500 1.6300000E-02 0.2748000 H -0.5213000 -1.394600 0.9081000 H -0.5874000 -1.448000 -0.8631000 H -1.747400 0.2452000 -2.098100 H -3.002900 1.239100 -1.296800 H -1.303400 1.722800 -1.153500 H -2.957800 -1.573900 0.9745000 H -3.979900 -0.3888000 9.2200004E-02 H -3.010200 -1.592900 -0.8229000 H -1.666900 0.2970000 2.137600 H -1.216200 1.734600 1.140800 H -2.925200 1.303000 1.353700 H 0.5335000 0.8108000 -0.9728000 H 0.6337000 0.8411000 0.8096000 H 2.697400 1.226000 -0.7211000 H 4.910400 0.7266000 0.1661000 H 4.298200 -0.9199000 0.7839000 %chk=000032501-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000032501 1 1 O 1.816901 -0.350296 0.057881 N -1.928544 0.059256 0.023757 C -0.496854 -0.516402 0.046791 C -2.185492 0.831546 -1.271018 C -2.902896 -1.121013 0.097736 C -2.170030 0.973613 1.225912 C 0.644686 0.513694 -0.025849 C 3.074912 0.308285 -0.061418 C 4.225475 -0.370044 0.121175 H -0.393811 -1.096184 0.979535 H -0.410419 -1.210582 -0.806017 H -1.963013 0.177681 -2.127974 H -3.242355 1.138041 -1.298281 H -1.543563 1.723287 -1.303556 H -2.725279 -1.675125 1.031804 H -3.934360 -0.737640 0.079392 H -2.732949 -1.781865 -0.765611 H -1.917545 0.427706 2.147578 H -1.543174 1.872391 1.139442 H -3.231122 1.266007 1.242355 H 0.642338 1.079537 -0.980353 H 0.624227 1.228031 0.822626 H 3.029268 1.375048 -0.322233 H 5.181383 0.145934 0.005797 H 4.236715 -1.432807 0.378730