%chk=000208896.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208896

0 1
O 1.403891 0.591341 -2.341658
O -0.435212 -1.432716 -0.226590
O 1.129545 7.081135 1.384201
O 1.123631 7.145457 -1.550124
N 3.338526 0.925628 -0.183470
N -1.222256 -3.467391 -1.169610
N -2.013849 -4.500575 -1.109046
N -3.848183 -5.718951 -0.209350
N -4.187841 -6.276306 1.018104
C 2.632325 -0.361625 -0.448018
C 2.912497 1.563626 1.100892
C 3.647761 2.902381 1.295432
C 1.251686 -0.047602 -1.064532
C 2.973433 4.031349 0.562819
C 0.454305 -1.316637 -1.394620
C 2.306858 5.032159 1.283101
C 3.008101 4.082785 -0.840630
C 1.695375 6.087953 0.596483
C 2.411124 5.139550 -1.528463
C 1.761328 6.151898 -0.812174
C -1.266756 -2.508636 -0.190617
C -2.160191 -2.581077 0.913757
C -0.275283 7.340768 1.111074
C 1.722812 8.460679 -1.385204
C -3.006650 -3.669824 0.964233
C -2.922004 -4.633403 -0.084814
C -4.879191 -7.382263 1.076981
C -5.286327 -7.839940 2.444737
C -5.297234 -8.240597 -0.077863
H 3.233350 -0.947912 -1.179286
H 2.501481 -1.002765 0.449956
H 1.813512 1.742285 1.055302
H 3.089832 0.911299 1.983653
H 4.703443 2.823739 0.959317
H 3.708100 3.123883 2.381079
H 0.656113 0.629515 -0.405365
H 4.351172 0.760895 -0.168405
H -0.164435 -1.186286 -2.303888
H 1.055984 -2.234251 -1.484955
H 2.250968 5.011022 2.369675
H 3.503933 3.284305 -1.394150
H 2.437926 5.192611 -2.616376
H 2.036853 1.346639 -2.253339
H -2.159556 -1.797883 1.669135
H -0.866809 6.490480 1.461054
H -0.441017 7.525289 0.042870
H -0.466531 8.235875 1.711580
H 1.044071 9.098902 -1.960252
H 2.727196 8.458376 -1.816622
H 1.744882 8.742175 -0.326618
H -3.727380 -3.810889 1.773292
H -3.606419 -6.370774 -0.978184
H -4.895293 -8.844223 2.657944
H -4.916874 -7.170704 3.238891
H -6.381335 -7.873707 2.535499
H -5.895119 -7.669412 -0.805471
H -4.430775 -8.654041 -0.613546
H -5.913092 -9.095106 0.232479


%chk=000208896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208896

0 1
O 0.642519 1.819816 -0.507479
O -0.230343 -1.505874 0.821912
O 0.319780 5.836343 0.054393
O 1.769469 7.117385 -2.146376
N 3.135906 1.238230 0.122766
N -2.077110 -2.406210 -0.349393
N -3.018102 -3.395827 -0.515071
N -4.011997 -5.404664 0.086665
N -4.123330 -6.536596 0.879072
C 2.209039 0.083148 0.215843
C 3.536015 1.866847 1.402087
C 4.376265 3.145981 1.171452
C 0.755543 0.638629 0.347754
C 3.681933 4.212009 0.329109
C -0.313325 -0.351412 -0.114993
C 2.340178 4.587525 0.583461
C 4.358615 4.843741 -0.744510
C 1.680253 5.542206 -0.214791
C 3.719740 5.829698 -1.528428
C 2.377946 6.190596 -1.275139
C -1.170288 -2.512107 0.658168
C -1.126351 -3.607516 1.570265
C -0.613559 5.091987 -0.835603
C 1.137109 8.294006 -1.506124
C -2.074494 -4.615643 1.411915
C -3.014267 -4.465927 0.343891
C -5.086274 -7.397141 0.606748
C -5.180213 -8.620244 1.487703
C -6.087952 -7.226584 -0.525057
H 2.285516 -0.491036 -0.726144
H 2.434039 -0.602118 1.059224
H 2.612998 2.122337 1.955153
H 4.111560 1.167388 2.053442
H 5.336440 2.869541 0.691164
H 4.639096 3.552240 2.169520
H 0.554297 0.909941 1.407007
H 3.935451 1.073403 -0.499136
H -1.321579 0.094821 -0.067017
H -0.134436 -0.693549 -1.150515
H 1.758447 4.124934 1.388333
H 5.395870 4.566924 -0.969640
H 4.239528 6.326612 -2.353957
H 1.608277 2.128393 -0.586063
H -0.369828 -3.632719 2.358484
H -0.459945 4.002526 -0.720510
H -0.458918 5.392229 -1.889494
H -1.623889 5.377419 -0.503968
H 0.672804 8.855958 -2.330982
H 1.909417 8.916829 -1.014792
H 0.379775 7.981031 -0.767428
H -2.125563 -5.493343 2.058527
H -4.634803 -5.198395 -0.704641
H -5.074056 -9.548422 0.892426
H -4.390309 -8.599780 2.255257
H -6.165125 -8.672550 1.992005
H -6.675112 -6.291746 -0.415538
H -5.586308 -7.186582 -1.513712
H -6.799947 -8.066185 -0.546945


