%chk=000287059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287059

0 1
O -5.778670 -2.001730 -0.420762
O -7.060216 0.610371 -0.029747
O 5.821403 1.800216 -0.768309
O 7.038022 -0.716474 0.062003
N -0.657839 1.352518 0.186098
C -1.373545 0.099556 -0.234158
C -0.849378 -1.004151 0.713774
C 0.797446 1.275701 -0.165103
C -1.290163 2.577573 -0.392852
C -2.882309 0.238203 -0.151171
C 1.422301 -0.041086 0.232065
C 0.646501 -1.110830 0.639692
C -2.677852 2.723614 0.251131
C -3.503359 1.483380 0.066846
C 2.853551 -0.172614 0.170589
C -3.671717 -0.903580 -0.351551
C 1.258539 -2.345330 1.016593
C -4.901169 1.573330 0.136791
C 3.449399 -1.410616 0.535406
C 2.619496 -2.492374 0.966722
C -5.064631 -0.813634 -0.295931
C -5.683587 0.428163 -0.032834
C 3.703574 0.905951 -0.233319
C 4.867940 -1.575224 0.455937
C 5.066417 0.735935 -0.289638
C 5.660337 -0.530274 0.047962
C -6.628578 -2.047699 -1.600505
C -7.762451 -0.168501 0.978411
C 6.793657 2.312693 0.185012
C 7.656396 -0.616444 -1.251091
H -1.123664 -0.181725 -1.295399
H -1.332623 -1.971569 0.479332
H -1.142675 -0.756980 1.759913
H 1.293348 2.100688 0.403355
H 0.992064 1.452823 -1.248816
H -1.378967 2.549229 -1.500077
H -0.663471 3.458685 -0.137122
H -3.190938 3.613610 -0.161546
H -2.559715 2.909945 1.343477
H -3.219512 -1.875423 -0.550627
H 0.622948 -3.166238 1.346505
H -5.395638 2.525836 0.322347
H 3.091441 -3.431347 1.253326
H 3.280793 1.874235 -0.497592
H 5.318386 -2.531535 0.720474
H -7.311677 -1.190876 -1.616759
H -7.165994 -2.991567 -1.462963
H -6.002343 -2.072845 -2.496090
H -7.520883 0.229612 1.967662
H -7.501718 -1.230724 0.903593
H -8.811224 0.010938 0.720557
H 7.346096 3.041354 -0.417217
H 7.445000 1.508208 0.546716
H 6.264655 2.796269 1.010667
H 7.408805 0.341414 -1.723081
H 7.331428 -1.459138 -1.867125
H 8.722362 -0.686020 -1.010470


%chk=000287059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287059

0 1
O -5.876320 -1.997906 -0.584869
O -7.142493 0.577860 0.035000
O 5.888462 1.811373 -0.818892
O 7.133714 -0.671333 0.066375
N -0.652896 1.311338 0.118005
C -1.376787 0.064465 -0.236764
C -0.858407 -1.039899 0.717257
C 0.779716 1.233620 -0.229453
C -1.290724 2.545862 -0.383787
C -2.897123 0.224535 -0.161789
C 1.439602 -0.057528 0.236039
C 0.659163 -1.129072 0.697380
C -2.658676 2.721515 0.294133
C -3.512468 1.477933 0.102284
C 2.877757 -0.180421 0.187364
C -3.718050 -0.905065 -0.401745
C 1.295034 -2.334540 1.144470
C -4.924475 1.555694 0.172284
C 3.505310 -1.405281 0.643350
C 2.680113 -2.472135 1.127375
C -5.121439 -0.820826 -0.351463
C -5.735879 0.422914 -0.026547
C 3.726420 0.875615 -0.283953
C 4.929641 -1.533737 0.579779
C 5.114134 0.737173 -0.318741
C 5.728458 -0.500637 0.094878
C -6.747371 -1.935634 -1.781752
C -7.799932 -0.209864 1.103904
C 6.818276 2.412121 0.167440
C 7.719358 -0.676195 -1.295232
H -1.119248 -0.245519 -1.286864
H -1.287842 -2.021464 0.441002
H -1.217982 -0.804216 1.737875
H 1.283344 2.099711 0.243287
H 0.941554 1.340341 -1.337570
H -1.415641 2.533612 -1.497330
H -0.630778 3.398204 -0.135921
H -3.178214 3.607943 -0.117031
H -2.492404 2.906584 1.373326
H -3.281855 -1.878302 -0.652318
H 0.665155 -3.158495 1.501652
H -5.419341 2.509362 0.388086
H 3.153840 -3.398397 1.472388
H 3.311386 1.828575 -0.625176
H 5.413342 -2.462504 0.901360
H -7.454045 -1.088794 -1.713252
H -7.290877 -2.892773 -1.799700
H -6.131036 -1.835620 -2.695585
H -7.460825 0.141490 2.096998
H -7.581053 -1.287250 0.993615
H -8.877937 -0.019780 0.987463
H 7.369603 3.188187 -0.385120
H 7.512553 1.652320 0.568588
H 6.245445 2.873053 0.994491
H 7.481926 0.260973 -1.830290
H 7.338781 -1.543249 -1.868001
H 8.805831 -0.772433 -1.147200


