%chk=000214414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214414

0 1
O 0.423733 1.264396 -1.214703
N 3.451169 1.141246 -1.505829
N 0.495057 -0.972402 -1.591345
C 4.183609 0.212246 -0.590273
C 5.452198 0.964265 -0.125703
C 3.350103 -0.251009 0.625201
C 6.291485 0.082538 0.806426
C 4.196501 -1.120845 1.563462
C 5.470152 -0.392047 2.013137
C 2.451079 0.503300 -2.389329
C 1.141838 0.170754 -1.749658
C -0.756948 0.703259 -0.692910
C -0.715028 -0.665530 -0.914980
C -1.685147 1.650504 -0.101120
C -1.665736 -1.714907 -0.551701
C -3.068886 1.408504 -0.162011
C -1.203644 2.814615 0.523714
C -1.886937 -2.795466 -1.422703
C -2.351582 -1.653017 0.673673
C -3.957883 2.320513 0.410352
C -2.101202 3.720791 1.091849
C -2.799246 -3.794241 -1.074756
C -3.261115 -2.656845 1.013178
C -3.477252 3.474677 1.038223
C -3.488983 -3.725814 0.140081
H 4.492362 -0.688126 -1.181637
H 5.175611 1.902757 0.389833
H 6.047200 1.267881 -1.008447
H 2.467245 -0.826464 0.287489
H 2.956566 0.622098 1.176842
H 7.180226 0.643582 1.151069
H 6.680115 -0.791782 0.249468
H 4.465114 -2.067107 1.054698
H 3.595486 -1.410839 2.445849
H 6.082120 -1.058743 2.648335
H 5.201586 0.474537 2.647008
H 3.025868 1.916435 -0.986410
H 2.878969 -0.425815 -2.843982
H 2.265338 1.210461 -3.239598
H -3.445578 0.512659 -0.658456
H -0.130627 3.004381 0.557052
H -1.336267 -2.852450 -2.363067
H -2.167998 -0.827623 1.360990
H -5.029926 2.132257 0.364136
H -1.727683 4.621749 1.576784
H -2.970218 -4.630093 -1.751471
H -3.791041 -2.607985 1.963025
H -4.174697 4.182891 1.483019
H -4.198904 -4.505947 0.407995


%chk=000214414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214414

0 1
O 0.400948 1.391464 -1.218423
N 3.506398 1.127754 -1.613474
N 0.480577 -0.829577 -1.719921
C 4.061375 0.196436 -0.598646
C 5.520809 0.607525 -0.281216
C 3.235112 0.101315 0.718962
C 6.182525 -0.339135 0.749117
C 3.895866 -0.848739 1.748421
C 5.352794 -0.427715 2.051853
C 2.426094 0.656657 -2.498290
C 1.103274 0.332658 -1.844904
C -0.769313 0.789710 -0.663997
C -0.702206 -0.577484 -0.961977
C -1.714786 1.713630 -0.031036
C -1.569780 -1.710757 -0.587816
C -3.114468 1.453511 -0.029436
C -1.242181 2.921792 0.556092
C -1.582405 -2.866455 -1.416801
C -2.354670 -1.712578 0.598105
C -4.009637 2.367111 0.563401
C -2.142505 3.832982 1.145036
C -2.382439 -3.979700 -1.085824
C -3.151131 -2.829095 0.928231
C -3.530270 3.558888 1.157252
C -3.175762 -3.965456 0.085414
H 4.079429 -0.810405 -1.066966
H 5.518183 1.643194 0.122357
H 6.095847 0.632573 -1.225030
H 2.205636 -0.239135 0.501476
H 3.159762 1.120645 1.156196
H 7.212018 0.004173 0.969235
H 6.272178 -1.353357 0.306995
H 3.891752 -1.882057 1.343257
H 3.297174 -0.871320 2.679687
H 5.819924 -1.142316 2.757218
H 5.350541 0.563529 2.551432
H 3.331094 2.066715 -1.233164
H 2.754648 -0.264010 -3.011302
H 2.261948 1.428171 -3.274370
H -3.499651 0.548088 -0.508676
H -0.168855 3.136191 0.543992
H -0.950882 -2.875895 -2.310649
H -2.325482 -0.851732 1.274162
H -5.084268 2.154084 0.551384
H -1.762024 4.756506 1.595294
H -2.384617 -4.859717 -1.738754
H -3.744674 -2.816619 1.849364
H -4.229277 4.266843 1.615816
H -3.796419 -4.830692 0.343721


