%chk=000208451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208451

0 1
O 1.782236 -1.958019 0.090931
O -2.778931 -1.584748 0.049161
N 0.910674 0.190954 0.005306
N -2.603733 1.396393 -0.057575
N -0.512465 -1.771486 0.058375
C 2.310331 0.769683 -0.003865
C 3.058226 0.396229 1.289197
C 3.080560 0.302960 -1.252765
C 4.453592 1.033952 1.276611
C 4.475855 0.940911 -1.262422
C 5.244157 0.618175 0.027460
C -0.232837 1.016387 -0.031124
C -1.493668 0.461100 -0.018828
C -3.488557 1.213784 -1.259849
C -3.499392 1.300347 1.146738
C -4.780773 0.504688 -0.806008
C -4.789067 0.562509 0.733059
C 0.795907 -1.242251 0.053109
C -1.724005 -0.983793 0.029244
C -0.062625 2.498137 -0.082313
C -0.624848 -3.256225 0.086735
H 2.209043 1.892479 -0.046119
H 3.152107 -0.710086 1.367362
H 2.489213 0.718803 2.178555
H 2.527453 0.559095 -2.173221
H 3.175339 -0.806053 -1.248086
H 5.005603 0.731473 2.187206
H 4.371306 2.136315 1.323131
H 4.395040 2.036855 -1.390904
H 5.043563 0.572999 -2.138634
H 6.227906 1.122471 0.017605
H 5.455844 -0.469086 0.069151
H -2.978544 0.663369 -2.070621
H -3.706869 2.234894 -1.637157
H -3.719028 2.345845 1.448988
H -2.997474 0.807954 1.998842
H -4.778562 -0.549763 -1.141720
H -5.673817 0.980659 -1.237069
H -5.684986 1.072095 1.117270
H -4.794426 -0.463625 1.147045
H 0.980080 2.849820 -0.094348
H -0.570821 2.970381 0.778473
H -0.570499 2.909903 -0.973877
H -0.469591 -3.672325 -0.922441
H -1.634047 -3.545783 0.435718
H 0.131628 -3.689577 0.763876


%chk=000208451-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208451

0 1
O 1.942892 -2.088246 0.202499
O -2.725074 -1.868563 0.065151
N 0.937781 0.045576 0.125090
N -2.687265 1.007681 0.088632
N -0.380977 -1.960895 0.176777
C 2.299901 0.687815 0.028260
C 3.170052 0.449715 1.288663
C 3.042076 0.290131 -1.273299
C 4.503628 1.228963 1.162257
C 4.373009 1.074275 -1.381941
C 5.260113 0.850400 -0.133500
C -0.238602 0.823117 0.135828
C -1.494756 0.220852 0.130991
C -3.365825 1.111348 -1.244021
C -3.714829 0.793860 1.166154
C -4.814310 1.504205 -0.883137
C -5.067244 0.698655 0.417708
C 0.898446 -1.371990 0.173310
C -1.617928 -1.244817 0.117203
C -0.132559 2.330284 0.152362
C -0.415854 -3.440524 0.203280
H 2.109924 1.772788 -0.032373
H 3.372076 -0.630019 1.391694
H 2.616651 0.777002 2.190677
H 2.397521 0.503773 -2.148348
H 3.246431 -0.793958 -1.261644
H 5.133639 1.024025 2.048730
H 4.301431 2.321155 1.160384
H 4.162609 2.159559 -1.489570
H 4.911261 0.761975 -2.297061
H 6.192099 1.442148 -0.216287
H 5.556413 -0.216830 -0.083900
H -3.353165 0.134762 -1.775397
H -2.864477 1.864298 -1.882135
H -3.701461 1.652044 1.868729
H -3.505989 -0.128910 1.737053
H -5.524644 1.254799 -1.690025
H -4.879160 2.590827 -0.685833
H -5.910237 1.094434 1.010325
H -5.272234 -0.357030 0.167575
H 0.302166 2.732290 -0.781896
H 0.478297 2.693541 0.998812
H -1.160134 2.714495 0.254053
H 0.117611 -3.848558 -0.670915
H -1.474126 -3.738518 0.185315
H 0.080920 -3.813135 1.113973


