%chk=000192314.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192314

0 1
O 3.943894 -2.720601 1.300534
O 1.999316 -1.655560 1.442677
N 2.530833 0.831310 -0.739281
N 2.952515 -0.354653 -2.712065
N 4.118976 -2.475531 -2.716431
N -1.644230 -0.909247 0.760951
N -2.672864 -0.356299 2.710187
N -0.900349 -1.235711 1.846947
N -1.533242 -0.897230 3.011320
C 2.546005 1.097697 0.725591
C 3.984329 1.147414 1.260237
C 1.921664 1.920361 -1.572703
C 0.420164 1.839878 -1.442186
C 3.985273 1.288329 2.788308
C 2.891466 -0.360373 -1.299762
C -0.261153 2.675144 -0.545872
C -0.282221 0.863176 -2.163294
C -2.299945 1.431576 -0.952311
C 5.406034 1.334741 3.343225
C -1.620154 2.470533 -0.299380
C -1.641321 0.659641 -1.921516
C 3.289714 -1.557897 -0.618553
C -3.684240 1.090341 -0.550810
C -3.901960 0.229707 0.548592
C -4.781243 1.618080 -1.242230
C 3.974933 -2.546887 -1.387181
C -5.211512 -0.075902 0.949945
C 2.972957 -1.907846 0.750392
C 3.538050 -1.378619 -3.339537
C -6.082921 1.300958 -0.842803
C -2.774896 -0.338195 1.287115
C -6.297565 0.458766 0.252380
H 2.035094 2.068868 0.921593
H 1.926696 0.340744 1.268996
H 2.236356 1.823816 -2.642419
H 2.326344 2.897279 -1.226613
H 4.533835 1.990672 0.797903
H 4.549004 0.239533 0.967114
H 3.432183 0.442822 3.246178
H 3.437604 2.203921 3.087503
H 0.264945 3.472095 -0.024331
H 0.242479 0.240155 -2.889892
H 5.970988 2.185776 2.945561
H 5.400170 1.429237 4.435721
H 5.968374 0.426016 3.097743
H -2.146900 3.096199 0.420662
H -2.180839 -0.126493 -2.449501
H -4.614941 2.279528 -2.092053
H 4.397392 -3.431062 -0.879627
H -5.375666 -0.726764 1.811187
H 3.579635 -1.357779 -4.442625
H -6.932035 1.714519 -1.386076
H -7.312832 0.218446 0.565551
H 3.712290 -3.012287 2.224852
H 0.044418 -1.647740 1.771087


%chk=000192314-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192314

0 1
O 3.774977 -2.950801 1.480315
O 1.786538 -1.798400 1.302133
N 2.511581 0.660814 -0.796757
N 3.232792 -0.551237 -2.663496
N 4.649493 -2.521745 -2.487175
N -1.514993 -0.454368 0.994909
N -3.111142 -2.047308 1.435526
N -0.981229 -1.614398 1.470308
N -1.912054 -2.602501 1.748451
C 2.504396 1.029331 0.643188
C 3.925455 1.213164 1.228220
C 1.953329 1.697816 -1.736126
C 0.439670 1.753712 -1.585007
C 3.872588 1.650814 2.710384
C 3.026000 -0.510683 -1.288808
C -0.189559 2.757145 -0.810707
C -0.356224 0.710743 -2.125106
C -2.317709 1.539936 -0.903878
C 5.278275 1.831666 3.322235
C -1.557832 2.654173 -0.475019
C -1.717904 0.608026 -1.791845
C 3.437680 -1.673338 -0.510876
C -3.683062 1.282258 -0.345015
C -3.928203 0.161996 0.515395
C -4.761836 2.142119 -0.667267
C 4.320479 -2.583569 -1.171120
C -5.247279 -0.084920 0.983338
C 2.910850 -2.085491 0.794919
C 3.997176 -1.525567 -3.181368
C -6.066030 1.897415 -0.184300
C -2.858198 -0.747261 0.969329
C -6.310583 0.771015 0.634740
H 1.952928 1.981224 0.719600
H 1.930493 0.291791 1.227483
H 2.260967 1.411945 -2.752330
H 2.417290 2.667248 -1.476957
H 4.472398 1.971533 0.632745
H 4.504510 0.273207 1.147736
H 3.306576 0.897633 3.295116
H 3.305403 2.600094 2.794765
H 0.398835 3.602769 -0.431034
H 0.110611 -0.046913 -2.765893
H 5.854236 2.601738 2.775732
H 5.218607 2.142732 4.380916
H 5.854352 0.888525 3.278477
H -2.017074 3.397526 0.186267
H -2.313381 -0.230292 -2.170369
H -4.572318 2.997646 -1.325053
H 4.731932 -3.422211 -0.601654
H -5.415154 -0.952537 1.629177
H 4.119521 -1.532191 -4.269151
H -6.884940 2.573606 -0.453220
H -7.320427 0.566194 1.006029
H 3.313847 -3.287854 2.294901
H 0.044248 -1.749369 1.528199


