%chk=000199363.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199363

0 1
O 0.160712 -0.478060 -0.285484
O 1.199328 -0.634340 1.732772
N 1.136918 3.278268 1.116741
C -0.600464 1.503900 1.008015
C 0.392296 2.363259 0.190760
C -1.045991 0.252502 0.198369
C 2.185642 2.554471 1.911695
C 1.890261 4.333855 0.358217
C 3.537135 2.700587 1.177164
C 3.346695 3.851104 0.171576
C -1.797903 2.338551 1.459926
C -1.831141 -0.779570 0.994216
C -1.717169 0.648752 -1.111975
C -2.639074 -1.714509 0.326851
C -3.083878 0.970840 -1.126135
C -1.713696 -0.857466 2.390176
C -0.979411 0.724772 -2.301563
C 1.145536 -0.922256 0.557008
C -3.349283 -2.678842 1.046369
C -3.698989 1.369510 -2.314894
C -2.425900 -1.820556 3.109645
C -1.600039 1.119142 -3.490652
C -3.250541 -2.729313 2.440247
C -2.959104 1.444587 -3.499819
C 2.116732 -1.748518 -0.207381
C 3.341341 -2.063630 0.403276
C 1.825206 -2.218423 -1.495985
C 4.275056 -2.842731 -0.282796
C 2.764075 -2.998448 -2.175870
C 3.986725 -3.308808 -1.570748
H -0.066844 1.132246 1.929807
H 1.067268 1.708198 -0.401710
H -0.169556 2.982940 -0.541490
H 2.223327 3.044605 2.906913
H 1.916415 1.492384 2.087136
H 1.406689 4.584507 -0.601760
H 1.859069 5.250977 0.984542
H 3.809234 1.765361 0.661510
H 4.351817 2.914084 1.886655
H 4.061568 4.668770 0.353338
H 3.521045 3.506581 -0.860398
H -1.448026 3.164551 2.098684
H -2.326569 2.799254 0.618059
H -2.519080 1.751696 2.036932
H -2.711602 -1.697019 -0.761786
H -3.669260 0.906633 -0.207957
H -1.038961 -0.176899 2.919326
H 0.082020 0.469432 -2.298509
H -3.976868 -3.394493 0.518626
H -4.758229 1.621315 -2.318056
H -2.329235 -1.866281 4.193085
H -1.020662 1.173808 -4.410557
H -3.806641 -3.478419 3.000710
H -3.440823 1.754916 -4.424827
H 3.550485 -1.700191 1.412854
H 0.864464 -1.972222 -1.956339
H 5.226214 -3.089762 0.186543
H 2.541796 -3.366356 -3.176375
H 4.717170 -3.917943 -2.103377


%chk=000199363-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199363

0 1
O 0.187574 -0.524168 -0.351286
O 1.218334 -0.813203 1.739947
N 1.166410 3.311619 1.160619
C -0.559199 1.513101 0.988810
C 0.510338 2.347607 0.229561
C -1.034954 0.248418 0.183967
C 2.276883 2.702622 1.958632
C 1.830063 4.453685 0.469809
C 3.598712 2.877766 1.117783
C 3.234250 3.931867 0.022343
C -1.729420 2.436481 1.401148
C -1.837841 -0.777436 1.010213
C -1.761378 0.661487 -1.111317
C -2.453079 -1.860030 0.326172
C -3.159813 0.900824 -1.096490
C -1.926539 -0.738082 2.423212
C -1.050467 0.881761 -2.318063
C 1.153865 -1.042538 0.504901
C -3.147959 -2.865022 1.029537
C -3.829686 1.348616 -2.255568
C -2.631106 -1.737324 3.130476
C -1.721024 1.322335 -3.481038
C -3.246316 -2.804413 2.439174
C -3.113870 1.560329 -3.456144
C 2.132930 -1.898305 -0.238310
C 3.234303 -2.425504 0.485202
C 1.989425 -2.192544 -1.619438
C 4.185278 -3.236863 -0.166386
C 2.943500 -3.005612 -2.267505
C 4.042576 -3.527544 -1.544550
H -0.071356 1.134804 1.903717
H 1.246803 1.673175 -0.264178
H 0.017226 2.931873 -0.569610
H 2.364727 3.250191 2.915980
H 2.056963 1.647127 2.190412
H 1.206685 4.826499 -0.360534
H 1.954879 5.278575 1.199171
H 3.918712 1.922968 0.664809
H 4.424689 3.229403 1.761436
H 3.978933 4.744054 -0.050982
H 3.162080 3.451528 -0.970794
H -1.303884 3.269869 1.986173
H -2.238267 2.863892 0.519029
H -2.485630 1.917805 2.015872
H -2.380918 -1.913661 -0.765670
H -3.728913 0.728773 -0.176743
H -1.434675 0.058901 2.986347
H 0.026346 0.694617 -2.345886
H -3.610870 -3.692682 0.480534
H -4.910308 1.526860 -2.220664
H -2.688312 -1.686610 4.223506
H -1.153741 1.479567 -4.405570
H -3.788641 -3.581106 2.990115
H -3.633906 1.902445 -4.357958
H 3.319436 -2.190150 1.551230
H 1.131480 -1.790045 -2.165141
H 5.033608 -3.643135 0.394965
H 2.830960 -3.235232 -3.332739
H 4.781408 -4.158930 -2.050937


