%chk=000140791.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000140791 0 1 O -3.7500001E-02 1.855100 0.9411000 O -1.370300 -2.397300 -0.2366000 O 1.431000 -2.355900 -0.2235000 N -1.126200 -0.1379000 0.3911000 N 1.114400 -0.1042000 0.3999000 C -2.498000 0.3105000 0.5146000 C 2.475900 0.3725000 0.5315000 C -1.8500000E-02 0.6736000 0.6152000 C -2.987400 0.8895000 -0.8104000 C 2.985700 0.8965000 -0.8087000 C -0.7417000 -1.398400 4.1700002E-02 C 0.7705000 -1.375900 4.8099998E-02 C -4.420200 1.387800 -0.7015000 C 4.422400 1.384000 -0.7025000 H -3.120900 -0.5428000 0.8051000 H -2.550600 1.070800 1.301600 H 2.501900 1.168400 1.283600 H 3.104100 -0.4576000 0.8733000 H -2.339700 1.717900 -1.121700 H -2.926200 0.1286000 -1.597800 H 2.927100 0.1078000 -1.568300 H 2.348300 1.717900 -1.157500 H -5.098400 0.5739000 -0.4259000 H -4.504700 2.176600 5.2800000E-02 H -4.752800 1.797500 -1.660400 H 4.507300 2.198200 2.4400000E-02 H 5.089300 0.5736000 -0.3913000 H 4.768900 1.756000 -1.671600 %chk=000140791-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000140791 0 1 O -0.016954 1.882301 0.935312 O -1.533068 -2.419914 -0.205470 O 1.560974 -2.399462 -0.198590 N -1.143574 -0.151581 0.391162 N 1.138894 -0.136770 0.396677 C -2.533108 0.332540 0.495515 C 2.521580 0.365402 0.506332 C -0.008262 0.676226 0.608601 C -3.065265 0.908214 -0.836477 C 3.067070 0.904669 -0.835589 C -0.770430 -1.463248 0.043741 C 0.784604 -1.452962 0.047155 C -4.523269 1.391616 -0.690322 C 4.517500 1.408619 -0.684116 H -3.150914 -0.525882 0.815207 H -2.559645 1.104931 1.284551 H 2.526241 1.162699 1.270553 H 3.145280 -0.474255 0.862374 H -2.418575 1.748601 -1.152150 H -3.001566 0.129018 -1.619111 H 3.023287 0.100318 -1.593691 H 2.415693 1.727107 -1.186996 H -5.192888 0.562536 -0.394975 H -4.607472 2.186658 0.073857 H -4.898161 1.801909 -1.644388 H 4.582332 2.228520 0.055278 H 5.191265 0.596691 -0.352750 H 4.902132 1.792198 -1.645389