%chk=000186816.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186816

0 1
O -1.476040 -0.737976 -0.216625
O 1.954232 -0.367077 0.981887
O -3.002667 0.112953 -1.642098
O 3.909785 0.653406 1.466089
N -0.742463 2.554595 -0.490493
C -3.723875 -1.459918 0.143622
C 3.820954 -1.019104 -0.362988
C -0.222947 1.317248 -0.092979
C 0.502036 1.534354 1.097125
C -0.400943 0.045232 -0.829849
C 1.211016 0.504611 1.894530
C -2.752865 -0.599373 -0.693241
C -5.090991 -1.437275 -0.547809
C -3.174422 -2.888589 0.216860
C -3.802491 -0.823096 1.536457
C 3.295997 -0.137248 0.790620
C 4.135517 -0.057007 -1.517240
C 5.092588 -1.711885 0.140120
C 2.770042 -2.050452 -0.786222
C 0.421336 2.916586 1.411759
C -0.352516 3.533145 0.422278
C -1.540228 2.810835 -1.692738
H -0.613209 0.174390 -1.906026
H 0.475413 -0.638456 -0.676834
H 1.906300 0.938530 2.638948
H 0.517630 -0.212723 2.375262
H -5.465481 -0.412384 -0.670207
H -5.834954 -1.998003 0.027722
H -5.046273 -1.875903 -1.552324
H -2.165783 -2.904906 0.654214
H -3.813355 -3.526497 0.837617
H -3.109435 -3.353858 -0.772952
H -2.810957 -0.771657 2.008126
H -4.453279 -1.403001 2.200185
H -4.200068 0.197933 1.499204
H 4.859272 0.712321 -1.214610
H 4.566955 -0.592403 -2.370122
H 3.237179 0.460742 -1.872966
H 5.826248 -0.982231 0.511529
H 5.573586 -2.285388 -0.659594
H 4.882290 -2.406025 0.961863
H 1.803078 -1.567761 -1.013528
H 3.089894 -2.607327 -1.672044
H 2.572202 -2.774878 0.013421
H 0.877137 3.400514 2.251892
H -0.627747 4.566254 0.327206
H -2.157323 3.717132 -1.576409
H -2.235788 1.963276 -1.899620
H -0.893788 2.942742 -2.578021


%chk=000186816-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186816

0 1
O -2.214181 -0.883118 -0.526497
O 2.288013 -0.875876 0.240979
O -3.842107 0.623876 -1.223217
O 3.560431 0.259166 1.827244
N -0.767240 2.323047 -0.672479
C -4.452929 -1.216310 0.346272
C 4.684475 -0.801293 -0.132027
C -0.503417 0.952674 -0.520993
C 0.471191 0.814405 0.495618
C -1.157790 -0.118685 -1.320991
C 1.029196 -0.480189 0.994263
C -3.513726 -0.383920 -0.548051
C -5.887300 -0.648647 0.233314
C -4.420809 -2.700994 -0.118977
C -3.947191 -1.116275 1.816042
C 3.494560 -0.406160 0.765866
C 4.518968 -0.073058 -1.499253
C 5.998525 -0.357941 0.553056
C 4.682526 -2.340257 -0.354754
C 0.801237 2.131477 0.959968
C 0.029978 3.037780 0.221339
C -1.665937 2.937951 -1.663921
H -1.636683 0.261718 -2.238421
H -0.447193 -0.921553 -1.567043
H 1.291370 -0.423030 2.063968
H 0.357569 -1.331633 0.805867
H -5.924724 0.407902 0.550003
H -6.568512 -1.234431 0.877003
H -6.256132 -0.697874 -0.805985
H -3.401638 -3.116572 -0.050970
H -5.091541 -3.300510 0.523593
H -4.769479 -2.800641 -1.163303
H -2.923553 -1.515785 1.911456
H -4.617779 -1.698694 2.474109
H -3.946270 -0.068633 2.168285
H 4.500148 1.024040 -1.366061
H 5.372043 -0.325580 -2.155821
H 3.583820 -0.379290 -1.997825
H 6.007538 0.731254 0.730172
H 6.858874 -0.620022 -0.089847
H 6.126420 -0.853672 1.531284
H 3.746091 -2.669225 -0.835218
H 5.532541 -2.619486 -1.004567
H 4.791251 -2.882399 0.602511
H 1.525006 2.373302 1.736116
H -0.013118 4.124700 0.259794
H -1.897323 3.966324 -1.342889
H -2.605705 2.365696 -1.727262
H -1.188700 2.980837 -2.660752


