%chk=000247982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247982

0 1
O 0.108573 2.234971 -0.215707
N 6.682742 -0.182574 1.045843
N -6.688642 -0.341897 1.083500
N 8.106316 -0.286547 -1.417230
N -8.135575 0.188060 -1.310952
N 0.424014 1.037786 -0.126866
N -0.367309 0.031197 -0.054232
C 6.071665 -0.006891 -0.118284
C 4.609014 0.249036 -0.103061
C -6.066912 -0.035600 -0.047273
C -4.585325 0.023047 -0.037808
C 6.796697 -0.061697 -1.391513
C -6.808069 0.234200 -1.286410
C 8.054851 -0.417868 1.029501
C 8.769688 -0.468254 -0.205838
C -8.081438 -0.391533 1.069380
C -8.807119 -0.122847 -0.129469
C 3.715020 -0.822401 0.032625
C 4.132420 1.563911 -0.232510
C 1.869142 0.725684 -0.110563
C -3.933996 1.262240 -0.082606
C -3.840237 -1.167587 0.016387
C 2.338441 -0.589563 0.030153
C 2.761104 1.806655 -0.235189
C -1.793794 0.129837 -0.050730
C -2.539052 1.320999 -0.091359
C -2.449881 -1.120897 0.007330
C 6.071995 0.128150 -2.678563
C 8.755065 -0.609851 2.261485
C -6.078261 0.556352 -2.544573
C 10.178561 -0.709533 -0.196536
C -8.789813 -0.713023 2.268582
C -10.235095 -0.177058 -0.117723
C 10.108250 -0.839920 2.237227
C 10.822596 -0.889759 1.002682
C -10.162216 -0.757701 2.248571
C -10.887585 -0.488337 1.050055
H 4.094918 -1.838203 0.154890
H 4.834355 2.394788 -0.316269
H -4.513626 2.185452 -0.100088
H -4.355728 -2.126792 0.076476
H 1.637220 -1.424034 0.139769
H 2.367903 2.826674 -0.329342
H -2.031349 2.291109 -0.124670
H -1.862759 -2.039152 0.050412
H 6.746849 0.040267 -3.547753
H 5.277897 -0.622954 -2.807148
H 5.601543 1.121462 -2.733345
H 8.188615 -0.566926 3.193716
H -5.334945 -0.218337 -2.786712
H -6.760648 0.641431 -3.406882
H -5.540147 1.512821 -2.460663
H 10.706302 -0.743830 -1.151304
H -8.214359 -0.914252 3.173825
H -10.770650 0.032393 -1.044935
H 10.661937 -0.988714 3.164847
H 11.897274 -1.074987 1.031469
H -10.721785 -1.000212 3.152038
H -11.976555 -0.534591 1.080040


%chk=000247982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247982

0 1
O 0.085307 2.087672 -1.507173
N 6.468417 -0.518873 0.893075
N -6.568681 -0.543074 1.035207
N 8.450050 0.082830 -1.068600
N -8.374097 0.399923 -0.961584
N 0.441110 1.007977 -0.829590
N -0.356009 0.119536 -0.253176
C 6.126671 0.038606 -0.295620
C 4.668697 0.302639 -0.474844
C -6.107798 0.032573 -0.104969
C -4.624624 0.128382 -0.211514
C 7.141450 0.310937 -1.316096
C -7.038199 0.478730 -1.146459
C 7.804983 -0.764858 1.147876
C 8.813977 -0.430329 0.167544
C -7.934764 -0.637962 1.223677
C -8.851949 -0.129155 0.228296
C 3.738099 -0.584356 0.137629
C 4.163390 1.427609 -1.181181
C 1.881487 0.744650 -0.690027
C -3.953894 1.201622 -0.859264
C -3.829887 -0.877650 0.413281
C 2.353102 -0.378699 0.029346
C 2.778009 1.655624 -1.287707
C -1.759880 0.248309 -0.308174
C -2.549417 1.278162 -0.913162
C -2.433552 -0.824077 0.359773
C 6.820742 0.798552 -2.713699
C 8.196007 -1.339367 2.397523
C -6.602612 0.990645 -2.503740
C 10.191775 -0.659076 0.465143
C -8.447822 -1.228275 2.420970
C -10.258950 -0.202658 0.459944
C 9.550167 -1.557551 2.664938
C 10.551032 -1.213171 1.697609
C -9.828975 -1.293051 2.624048
C -10.737124 -0.775437 1.642571
H 4.128559 -1.431930 0.707925
H 4.849185 2.155458 -1.621950
H -4.529521 2.018415 -1.303235
H -4.339816 -1.687738 0.942024
H 1.634608 -1.060657 0.487679
H 2.377271 2.523815 -1.815891
H -2.057889 2.116518 -1.404815
H -1.819424 -1.600061 0.827177
H 7.642002 0.498434 -3.383322
H 5.866925 0.393053 -3.090414
H 6.754848 1.902560 -2.752122
H 7.412980 -1.585350 3.121402
H -5.683770 0.497627 -2.861849
H -7.421632 0.816324 -3.219257
H -6.413621 2.080790 -2.483504
H 10.935383 -0.395436 -0.293240
H -7.732964 -1.607671 3.157710
H -10.930924 0.191390 -0.308745
H 9.856023 -1.993144 3.622268
H 11.606480 -1.390917 1.930704
H -10.227187 -1.739994 3.541416
H -11.815658 -0.834646 1.824866


