%chk=000244535.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244535

0 1
O 4.373556 3.190164 -0.196867
N -6.402902 -0.330096 0.256505
N 1.065605 -0.403947 0.096197
N 3.159885 -2.221879 0.146674
C -3.936640 -0.344608 0.151615
C -2.659177 0.500947 0.096627
C -5.193278 0.544517 0.115892
C -1.408494 -0.387034 0.127296
C -0.133786 0.467389 0.076786
C -6.768136 -0.974600 -1.047740
C -7.544835 0.392934 0.887225
C 2.350578 0.086015 0.035137
C -7.678432 -2.179457 -0.804336
C -8.084975 1.608680 0.127866
C 3.457666 -0.871487 0.060767
C 2.635784 1.454012 -0.050539
C 4.797503 -0.389441 -0.002855
C 3.981838 1.873422 -0.110848
C 5.059632 0.994502 -0.089625
C 5.849188 -1.370059 0.025620
C 5.540459 -2.700727 0.110752
C 4.161129 -3.094091 0.170333
C 3.354216 4.216888 -0.226064
H -3.955220 -0.964765 1.070849
H -3.958682 -1.067260 -0.687272
H -2.640438 1.208983 0.948511
H -2.658341 1.124198 -0.818937
H -5.206911 1.159531 -0.808341
H -5.161834 1.258708 0.967362
H -1.429214 -1.096293 -0.724788
H -1.414986 -1.013448 1.042517
H -0.123588 1.093880 -0.846029
H -0.100468 1.165862 0.945869
H -5.829274 -1.321568 -1.536188
H -7.252560 -0.267700 -1.755840
H -8.362559 -0.347773 1.038063
H -7.217933 0.698761 1.906496
H 0.919003 -1.412427 0.162105
H -7.265669 -2.830201 -0.021272
H -8.679404 -1.877857 -0.477115
H -7.789154 -2.777791 -1.714132
H -7.330010 2.393793 0.020044
H -8.424354 1.338541 -0.878548
H -8.940388 2.048457 0.652153
H 1.839126 2.183255 -0.069879
H 6.075330 1.369521 -0.138492
H 6.881286 -1.025214 -0.021816
H 6.310860 -3.467789 0.134566
H 3.899971 -4.154943 0.238724
H 2.721701 4.098487 -1.110235
H 2.772295 4.200230 0.699690
H 3.959029 5.130579 -0.294282


%chk=000244535-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244535

0 1
O 4.522393 3.269527 -0.210997
N -6.443329 -0.369206 0.238916
N 1.123484 -0.316632 0.058647
N 3.101398 -2.152929 0.163387
C -3.918239 -0.388030 0.138992
C -2.644007 0.484183 0.075724
C -5.212975 0.456122 0.139928
C -1.347961 -0.355221 0.086739
C -0.077118 0.514879 0.029893
C -6.811002 -1.013456 -1.047071
C -7.562209 0.308590 0.942622
C 2.414009 0.160424 0.015907
C -7.872623 -2.119415 -0.896565
C -8.205926 1.525137 0.218786
C 3.480052 -0.827968 0.072781
C 2.748487 1.529620 -0.077414
C 4.858023 -0.394023 0.034934
C 4.121165 1.924811 -0.115447
C 5.168633 0.992447 -0.059926
C 5.852316 -1.429533 0.097606
C 5.462350 -2.768079 0.189126
C 4.068698 -3.091018 0.219286
C 3.485629 4.299036 -0.286365
H -3.910599 -1.011332 1.053899
H -3.920324 -1.088474 -0.719920
H -2.635385 1.185006 0.936788
H -2.669368 1.112212 -0.839505
H -5.217206 1.117169 -0.765208
H -5.186757 1.130486 1.018834
H -1.350803 -1.051677 -0.776169
H -1.321497 -0.979372 1.002929
H -0.095020 1.134528 -0.894502
H -0.076565 1.223894 0.888122
H -5.892078 -1.469327 -1.459699
H -7.157024 -0.266760 -1.807883
H -8.345189 -0.443108 1.154142
H -7.177419 0.636017 1.927848
H 1.054262 -1.338464 0.129648
H -7.557229 -2.846118 -0.127005
H -8.859845 -1.715944 -0.608146
H -8.001481 -2.655313 -1.854967
H -7.460868 2.317610 0.021191
H -8.659089 1.233168 -0.746184
H -9.005439 1.960866 0.846750
H 1.953724 2.277979 -0.120266
H 6.204035 1.343186 -0.091029
H 6.913151 -1.154503 0.072635
H 6.204034 -3.571847 0.238061
H 3.738550 -4.133705 0.290801
H 2.846902 4.167237 -1.181602
H 2.853481 4.307162 0.623076
H 4.033794 5.249955 -0.361925


