%chk=000208481.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208481

0 1
O -1.076244 -1.663432 -1.600656
O 1.825180 -0.323341 -1.225020
O -0.254044 -1.970764 0.487005
N -4.317793 -0.509424 -0.199604
C -4.997970 0.803925 -0.452405
C -4.556821 -0.982684 1.204894
C -6.513238 0.652337 -0.235753
C -6.065287 -1.160971 1.442677
C -6.822407 0.146464 1.178662
C -2.851473 -0.421195 -0.486913
C -2.456520 -1.760504 -1.122547
C 3.414883 1.892178 -1.469274
C 3.424958 1.053379 -0.208913
C 2.608849 -0.095783 -0.091592
C -0.062985 -1.761905 -0.686342
C 4.819110 1.969581 -2.083104
C 2.856530 3.291108 -1.176381
C 4.225910 1.376057 0.889486
C 1.262895 -1.626556 -1.429165
C 2.580852 -0.887586 1.053900
C 3.401945 -0.536923 2.139677
C 4.225164 0.592963 2.049491
C 3.384200 -1.376738 3.374901
H -4.802393 1.089969 -1.508805
H -4.604139 1.621470 0.188724
H -4.131878 -0.294291 1.967179
H -4.040391 -1.959302 1.328285
H -7.013060 1.620230 -0.419914
H -6.920439 -0.059446 -0.981951
H -6.451508 -1.956081 0.773777
H -6.239720 -1.508835 2.476744
H -6.538592 0.909578 1.927668
H -7.910035 -0.011952 1.297530
H -2.223916 -0.226027 0.410890
H -2.626162 0.401234 -1.199781
H -2.538558 -2.609389 -0.424618
H -3.001961 -1.968247 -2.060875
H 2.737843 1.400602 -2.220017
H 5.522242 2.501147 -1.433811
H 4.800105 2.493731 -3.044204
H 5.227497 0.967747 -2.257361
H 1.857164 3.227864 -0.730236
H 2.775291 3.883906 -2.093079
H 3.490903 3.847164 -0.478624
H 4.868139 2.256222 0.840155
H 1.960708 -2.429874 -1.128582
H 1.111737 -1.634938 -2.532045
H 1.909424 -1.741973 1.138384
H 4.864700 0.870298 2.883026
H 2.356661 -1.538945 3.733708
H 3.818020 -2.368910 3.183320
H 3.948324 -0.929337 4.202786


%chk=000208481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208481

0 1
O -0.462607 -1.287033 -1.773181
O 2.309011 -1.089763 -1.550330
O -0.400114 -3.274959 -0.544978
N -3.517242 -0.109771 0.117762
C -3.892534 1.214045 0.676713
C -4.014722 -1.225456 0.964616
C -5.424750 1.340053 0.803877
C -5.549826 -1.174811 1.100136
C -6.001703 0.191977 1.663943
C -2.080821 -0.234994 -0.211247
C -1.917984 -1.116120 -1.464264
C 3.281017 1.508304 -1.774066
C 2.996022 0.895513 -0.400550
C 2.457815 -0.422320 -0.307399
C 0.172599 -2.378084 -1.207351
C 4.303014 2.666479 -1.738063
C 1.948262 1.970125 -2.433421
C 3.187448 1.588240 0.814772
C 1.670416 -2.397213 -1.551226
C 2.120347 -1.005924 0.932961
C 2.315884 -0.286979 2.142008
C 2.855076 1.016632 2.066782
C 1.968670 -0.927394 3.475735
H -3.501849 1.999800 0.003772
H -3.428788 1.376427 1.685756
H -3.553345 -1.180227 1.986920
H -3.702903 -2.185030 0.513453
H -5.676658 2.324026 1.244360
H -5.868692 1.301006 -0.209810
H -6.001244 -1.332454 0.101519
H -5.887907 -1.999717 1.756406
H -5.638476 0.296393 2.707732
H -7.105912 0.251816 1.699175
H -1.482898 -0.665895 0.626757
H -1.663893 0.765732 -0.424411
H -2.373654 -2.111215 -1.324274
H -2.335019 -0.621379 -2.353266
H 3.693780 0.703913 -2.413458
H 3.905403 3.547369 -1.199048
H 4.536677 2.992707 -2.768162
H 5.248109 2.362782 -1.251514
H 1.234946 1.130806 -2.502649
H 2.135401 2.355420 -3.453519
H 1.483732 2.779691 -1.839033
H 3.604496 2.600456 0.788949
H 2.166264 -3.106325 -0.862645
H 1.789043 -2.762366 -2.586122
H 1.705191 -2.018284 0.989609
H 3.017004 1.590095 2.986930
H 0.977322 -1.415985 3.445775
H 2.706262 -1.705967 3.750838
H 1.956030 -0.180344 4.288029


