%chk=000229726.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229726

0 1
O 3.449438 2.724551 0.339542
O 7.324706 0.244914 -0.072661
O -6.350231 -1.423282 -1.109216
O -5.408848 2.978835 -0.054818
N 1.906200 0.054841 -0.015097
N 3.047195 -1.918567 -0.285894
N 5.349370 -0.928036 -0.195231
N 5.381898 1.492025 0.115848
N -3.614482 -2.127018 0.152543
N -2.272114 -0.490809 1.031050
N -3.811475 1.428373 0.524799
N -5.889007 0.774354 -0.583315
C 0.519826 -2.069401 -0.251403
C 1.805593 -1.321542 -0.196710
C 0.019970 -2.384504 1.166876
C 3.280148 0.363149 -0.002692
C 3.957129 -0.877097 -0.170466
C -1.427084 -2.895084 1.168453
C 0.823876 1.058708 0.060020
C -2.407308 -1.838656 0.789832
C 3.949518 1.629934 0.164506
C -4.288629 -0.903995 -0.018312
C -3.438391 0.089395 0.534390
C 6.108192 0.274584 -0.053524
C 0.373153 1.483099 -1.333687
C 6.047001 -2.224827 -0.369139
C -5.575130 -0.630691 -0.616160
C -5.073337 1.810901 -0.040784
C 6.208606 2.724373 0.243134
C -2.934724 2.459933 1.129317
C -7.198601 1.210771 -1.144065
H -0.242173 -1.487980 -0.815210
H 0.670077 -3.012882 -0.825106
H 0.094802 -1.480716 1.810615
H 0.682560 -3.142643 1.633893
H -1.517509 -3.779700 0.501652
H -1.678583 -3.262538 2.192787
H -0.028519 0.630824 0.644380
H 1.209679 1.948006 0.624647
H -3.985663 -3.014792 -0.142033
H 1.199620 1.931583 -1.904871
H -0.420339 2.238809 -1.272755
H -0.015191 0.644699 -1.923045
H 5.747284 -2.693932 -1.323224
H 5.784012 -2.912688 0.454008
H 7.143119 -2.070207 -0.372776
H 5.606440 3.535393 0.694029
H 6.560104 3.054814 -0.748900
H 7.091233 2.533315 0.879364
H -3.432568 3.449517 1.095390
H -1.981286 2.524361 0.576887
H -2.715485 2.208881 2.182689
H -7.603764 0.424055 -1.808297
H -7.079481 2.144551 -1.722344
H -7.922823 1.394040 -0.332015


%chk=000229726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229726

0 1
O 3.766208 2.781934 0.583810
O 7.510426 -0.012953 -0.062220
O -6.785491 -1.793630 -0.399892
O -5.746290 2.814084 -0.381483
N 2.050598 0.214865 0.045381
N 3.050606 -1.795851 -0.392189
N 5.389654 -1.001357 -0.250052
N 5.627625 1.349545 0.248811
N -3.806793 -2.216709 0.356915
N -2.364902 -0.482332 0.617524
N -4.010029 1.317413 0.122306
N -6.242245 0.522904 -0.385846
C 0.520515 -1.796134 -0.321819
C 1.862591 -1.133345 -0.241889
C -0.016626 -2.204472 1.079420
C 3.440374 0.432776 0.068786
C 4.015312 -0.820933 -0.198328
C -1.428658 -2.828366 1.024496
C 1.011933 1.261757 0.210595
C -2.505208 -1.841015 0.658924
C 4.213282 1.619270 0.323163
C -4.544084 -1.053333 0.115920
C -3.630028 -0.005600 0.283882
C 6.251282 0.098057 -0.025567
C 0.871221 2.135864 -1.051676
C 5.960191 -2.331730 -0.533909
C -5.926888 -0.873585 -0.235620
C -5.352349 1.624657 -0.223795
C 6.556759 2.478488 0.484587
C -3.038909 2.413060 0.300392
C -7.634167 0.880698 -0.745811
H -0.212527 -1.130582 -0.811281
H 0.635497 -2.697133 -0.949549
H -0.041690 -1.320734 1.742455
H 0.680886 -2.934584 1.529003
H -1.441150 -3.673129 0.306071
H -1.665257 -3.263886 2.016871
H 0.058872 0.761912 0.456901
H 1.311638 1.894267 1.063063
H -4.187545 -3.162387 0.316713
H 1.817403 2.661995 -1.260413
H 0.091935 2.902254 -0.888008
H 0.587704 1.532551 -1.932700
H 5.599337 -2.696963 -1.509890
H 5.653918 -3.049878 0.245359
H 7.054821 -2.227840 -0.545848
H 5.944145 3.369670 0.684144
H 7.193453 2.635646 -0.401363
H 7.210769 2.257177 1.343787
H -3.586765 3.361536 0.203449
H -2.252497 2.356634 -0.471930
H -2.569682 2.342860 1.295909
H -8.199708 -0.057984 -0.838463
H -7.647582 1.436501 -1.697389
H -8.073881 1.522073 0.035194


