%chk=000194429.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194429

0 1
O 3.319077 1.135781 -0.799800
O -2.581081 -1.739861 0.251426
O -1.578778 1.854926 -1.093911
O 0.456209 -2.717419 1.419487
O 0.652118 -1.582444 -0.526212
O 2.379315 0.670017 1.257825
N -1.414119 0.204761 0.497524
N -5.055609 -0.738886 -0.032867
N 1.339708 2.052564 -0.280566
C -3.924260 0.157436 -0.390622
C -0.465855 -0.520895 1.405501
C -2.597998 -0.535591 0.100436
C 0.138947 2.243878 0.552075
C -1.015181 1.433435 -0.106734
C -4.147637 1.504326 0.296479
C -3.847720 0.262984 -1.913900
C 4.443608 0.140477 -0.658162
C -1.168532 -1.048464 2.650408
C -0.269158 3.712314 0.603226
C 0.243563 -1.629789 0.610209
C 5.313752 0.598351 0.500373
C 5.102547 0.319636 -2.020618
C 3.834201 -1.235291 -0.456894
C 2.364481 1.213623 0.162288
C 1.122726 -3.857516 0.810878
H 0.363843 0.187089 1.737452
H 0.353682 1.869819 1.598625
H -3.546884 2.298886 -0.168256
H -3.921937 1.479564 1.365811
H -5.200248 1.811466 0.189736
H -3.054576 0.959149 -2.233407
H -3.650438 -0.702645 -2.393566
H -4.796208 0.641177 -2.319630
H -1.717173 -0.261209 3.176520
H -0.434925 -1.482457 3.347314
H -1.875794 -1.860006 2.410663
H -5.135426 -0.877361 0.969472
H -4.963216 -1.657038 -0.464585
H 1.353243 2.450202 -1.218104
H 0.567033 4.345039 0.931672
H -1.099819 3.873868 1.301292
H -0.596581 4.084088 -0.380519
H 5.664834 1.627928 0.364680
H 4.754191 0.573517 1.450414
H 6.192494 -0.043479 0.622070
H 5.345443 1.373441 -2.211703
H 4.436548 -0.001616 -2.832843
H 6.028930 -0.259464 -2.092966
H 4.555132 -2.033026 -0.656049
H 2.964483 -1.395227 -1.117568
H 3.459132 -1.364648 0.570451
H 0.460700 -4.294514 0.056025
H 2.070421 -3.542775 0.363571
H 1.270095 -4.527921 1.663578


%chk=000194429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194429

0 1
O 3.398140 1.145532 -0.770495
O -2.565135 -1.788379 0.091301
O -1.554171 1.780509 -1.250417
O 0.262568 -2.898807 1.216954
O 0.481762 -1.593485 -0.697479
O 2.413609 0.724447 1.348949
N -1.443039 0.201433 0.476531
N -5.078190 -0.676774 0.313166
N 1.359260 2.001426 -0.306919
C -4.004083 0.163369 -0.278432
C -0.502176 -0.596277 1.338631
C -2.622727 -0.528448 0.050051
C 0.120135 2.234625 0.451943
C -1.023547 1.385606 -0.175311
C -4.167651 1.581489 0.312725
C -4.193394 0.155493 -1.816608
C 4.606221 0.238777 -0.545122
C -1.143702 -1.026702 2.667387
C -0.282389 3.723418 0.413841
C 0.090361 -1.734508 0.483338
C 5.439744 0.792339 0.627068
C 5.347813 0.373207 -1.885933
C 4.122930 -1.205775 -0.305961
C 2.397591 1.236826 0.189533
C 0.876670 -4.027680 0.476360
H 0.376229 0.037782 1.563593
H 0.325880 1.941037 1.492986
H -3.531579 2.317790 -0.197617
H -3.943852 1.599004 1.397103
H -5.222074 1.875688 0.177348
H -3.419690 0.763761 -2.308786
H -4.138521 -0.878291 -2.204350
H -5.194933 0.560664 -2.042104
H -1.507614 -0.136023 3.210575
H -0.390087 -1.533398 3.291046
H -1.977745 -1.727666 2.510418
H -5.109266 -0.618327 1.340110
H -5.006891 -1.657057 0.009930
H 1.394784 2.282732 -1.288785
H 0.541423 4.338107 0.814436
H -1.185016 3.898877 1.026239
H -0.508143 4.037811 -0.619160
H 5.730509 1.840159 0.434097
H 4.871446 0.743796 1.569325
H 6.362052 0.192939 0.737633
H 5.600779 1.428840 -2.084686
H 4.721991 0.001303 -2.715108
H 6.283159 -0.213735 -1.858140
H 4.989637 -1.890650 -0.347940
H 3.399585 -1.503811 -1.085265
H 3.640742 -1.300965 0.679722
H 0.227644 -4.317082 -0.366615
H 1.869108 -3.737334 0.091891
H 0.955145 -4.837413 1.215000


