%chk=000286022.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286022

0 1
O -5.187288 -2.400828 0.214733
O -6.681032 0.729225 1.407947
O 2.952063 -0.155923 0.217803
O -4.822666 0.287512 2.587313
O -2.962390 1.229120 -1.472297
N -3.371379 -0.201218 0.237101
N 1.253647 0.798895 -1.099857
N 0.817781 -0.536669 0.922742
N -0.501495 1.702073 -2.349000
C -4.822598 0.023415 0.126104
C -5.562862 -1.215126 -0.481148
C -5.299450 -1.334814 -1.972694
C -5.369953 0.334812 1.514332
C -2.488471 0.522240 -0.578219
C -1.052051 0.354399 -0.359466
C -0.119493 0.958404 -1.273903
C -0.498353 -0.367325 0.726397
C 3.922950 0.460828 -0.719946
C 5.263083 0.039923 -0.192232
C 1.650163 0.060958 -0.026553
C 5.444545 -0.246167 1.167547
C 6.346735 -0.043229 -1.080134
C 6.708334 -0.614799 1.637633
C 7.608415 -0.403870 -0.601094
C 7.790992 -0.690640 0.756356
H -5.018085 0.914498 -0.551305
H -6.655915 -1.138783 -0.250425
H -3.063117 -0.724636 1.056375
H -4.230623 -1.276197 -2.218785
H -5.793120 -0.535113 -2.540204
H -5.677331 -2.290934 -2.359384
H -4.301951 -2.715650 -0.063984
H -1.148089 -0.833871 1.484861
H 3.704750 0.079531 -1.734151
H 3.776378 1.557075 -0.684974
H -7.095555 0.931217 2.291705
H 4.593739 -0.193095 1.851177
H 6.210677 0.171795 -2.138148
H -1.497159 1.889014 -2.526120
H 0.185587 2.118936 -2.960221
H 6.846955 -0.842702 2.693791
H 8.451365 -0.464981 -1.287754
H 8.775168 -0.974502 1.124982


%chk=000286022-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286022

0 1
O -5.624426 -2.194522 0.364215
O -6.713664 0.861073 1.513461
O 2.921530 -0.378323 0.207561
O -4.733109 0.291565 2.589060
O -2.978173 1.031503 -1.731874
N -3.435436 -0.112186 0.231935
N 1.240245 0.594605 -1.110882
N 0.752128 -0.836141 0.811799
N -0.455665 1.545362 -2.405938
C -4.872428 0.165054 0.126657
C -5.690180 -1.013200 -0.511607
C -5.244679 -1.336183 -1.942961
C -5.391591 0.438366 1.535396
C -2.539760 0.395140 -0.700822
C -1.093281 0.172415 -0.467683
C -0.105113 0.778410 -1.338589
C -0.568854 -0.635489 0.575337
C 3.899695 0.309370 -0.670012
C 5.293313 0.009282 -0.152672
C 1.588475 -0.181490 -0.059081
C 5.520831 -0.464932 1.161529
C 6.400559 0.251342 -1.004705
C 6.840643 -0.687819 1.616733
C 7.718571 0.034369 -0.546509
C 7.943080 -0.436115 0.768505
H -5.018988 1.059233 -0.508366
H -6.754059 -0.724241 -0.485857
H -3.114312 -0.377461 1.168977
H -4.185742 -1.653050 -1.968831
H -5.339723 -0.455417 -2.600971
H -5.865881 -2.155878 -2.343080
H -4.719050 -2.592305 0.283859
H -1.234798 -1.173039 1.261400
H 3.760361 -0.041429 -1.709319
H 3.677454 1.393915 -0.654210
H -7.047488 0.982196 2.443010
H 4.664058 -0.669560 1.809614
H 6.234393 0.608667 -2.029348
H -1.464846 1.654313 -2.592116
H 0.281497 1.949414 -2.980982
H 7.006425 -1.059842 2.634125
H 8.566085 0.225041 -1.214484
H 8.964804 -0.609218 1.124630


