%chk=000206509.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206509

0 1
O -5.792041 -0.022189 0.029518
O -4.859592 2.157970 0.033935
O 0.211347 2.438555 0.028876
O 6.134439 0.106288 -0.264894
N -0.256668 0.201168 -0.002874
C -1.126653 -1.934461 -0.005481
C 0.040720 -1.189705 -0.010222
C -0.848370 -3.395757 -0.010129
C 1.278606 -2.016323 -0.018412
C 0.712142 -3.471258 -0.012771
C -2.246423 -1.035639 0.004577
C -1.693414 0.293473 0.007076
C -3.643529 -1.250125 0.011671
C -2.488634 1.462432 0.017051
C 0.647240 1.309475 0.002261
C -4.402627 -0.106367 0.021034
C -3.839455 1.215799 0.023674
C 2.093592 0.956156 -0.025360
C -6.115130 1.404441 0.037172
C 2.741019 0.774308 -1.262186
C 2.809897 0.868515 1.173235
C 4.097664 0.488686 -1.300215
C 4.176733 0.581129 1.158069
C 4.807354 0.395817 -0.080560
C 6.984697 0.015893 0.906166
H -1.275554 -3.898806 0.875352
H -1.278078 -3.893209 -0.897638
H 1.904280 -1.828258 -0.909733
H 1.918457 -1.824504 0.861437
H 1.070686 -4.017698 0.873188
H 1.067727 -4.023291 -0.896547
H -4.068065 -2.247942 0.009543
H -2.051347 2.461734 0.019577
H -6.648282 1.635398 -0.894433
H -6.638659 1.627498 0.976106
H 2.172549 0.860407 -2.191052
H 2.301060 1.025799 2.127015
H 4.628350 0.345008 -2.239794
H 4.726201 0.515796 2.091432
H 7.961430 -0.204774 0.454046
H 6.656983 -0.804016 1.551191
H 7.006048 0.973177 1.435101


%chk=000206509-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206509

0 1
O -5.759839 0.316326 -0.471144
O -4.680149 2.316366 0.280450
O 0.300790 1.809356 1.602580
O 6.174688 0.440644 -0.634571
N -0.258947 -0.136749 0.433673
C -1.254888 -2.102297 -0.220091
C -0.058165 -1.518478 0.145231
C -1.089321 -3.581866 -0.476820
C 1.087919 -2.494997 0.248773
C 0.321745 -3.868440 0.161641
C -2.293632 -1.093169 -0.183347
C -1.660737 0.124424 0.263986
C -3.688245 -1.121041 -0.473974
C -2.365400 1.340582 0.445236
C 0.683348 0.814686 0.916854
C -4.366289 0.084398 -0.303597
C -3.725422 1.271215 0.138620
C 2.115321 0.626772 0.539128
C -5.915097 1.787862 -0.348872
C 2.509271 0.168491 -0.749253
C 3.114168 1.062956 1.444883
C 3.864944 0.128148 -1.110006
C 4.479602 1.005053 1.106376
C 4.856889 0.533590 -0.179168
C 7.245788 0.874306 0.269955
H -1.878039 -4.200750 -0.010501
H -1.098185 -3.812148 -1.561321
H 1.813360 -2.385341 -0.579789
H 1.667231 -2.401415 1.185771
H 0.177395 -4.262923 1.183649
H 0.894671 -4.620028 -0.409115
H -4.196461 -2.027664 -0.809784
H -1.888766 2.244172 0.823803
H -6.020382 2.224735 -1.361422
H -6.772407 2.004776 0.305852
H 1.747128 -0.118102 -1.481512
H 2.801975 1.457559 2.417484
H 4.182522 -0.201437 -2.103572
H 5.229868 1.333398 1.831437
H 8.175783 0.721095 -0.296054
H 7.263753 0.262390 1.192166
H 7.138912 1.944143 0.532367


