%chk=000217318.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217318

0 1
O 0.837908 0.121356 0.479058
O -0.120564 0.610987 -1.496154
O -0.619056 -0.321444 2.586438
N 4.795704 -0.046961 0.648862
C 4.383434 0.082129 -0.795952
C 4.304016 1.259092 1.218660
C 4.672730 1.561564 -1.190035
C 4.620387 2.339498 0.141614
C 2.868569 -0.218545 -0.819150
C 2.779512 1.080426 1.405005
C 2.101980 0.773725 0.063754
C 6.259187 -0.250523 0.826477
C -0.221444 0.122979 -0.397018
C -1.445887 -0.553274 0.242750
C -1.079605 -1.234313 1.596115
C -1.932044 -1.696318 -0.646735
C -2.494592 0.547916 0.355860
C -1.042789 -2.397017 -1.474206
C -3.032509 1.082741 -0.829930
C -3.276940 -2.093792 -0.585302
C -2.927047 1.045351 1.590133
C -1.498819 -3.472897 -2.241878
C -4.003145 2.082481 -0.775203
C -3.727000 -3.170593 -1.352642
C -3.902942 2.047362 1.640543
C -2.839805 -3.862458 -2.183462
C -4.445543 2.564559 0.462577
H 4.927368 -0.635739 -1.443178
H 4.782850 1.487988 2.192755
H 3.940407 1.941579 -1.918361
H 5.659678 1.652507 -1.668943
H 5.581129 2.832985 0.355007
H 3.862181 3.136200 0.123375
H 2.698797 -1.249554 -0.444009
H 2.478458 -0.191013 -1.852940
H 2.335920 1.976603 1.871177
H 2.601008 0.237297 2.107804
H 1.825364 1.694167 -0.493255
H 6.539304 -1.216595 0.375639
H 6.478867 -0.322258 1.904248
H 6.897140 0.533195 0.392933
H -0.308156 -2.010340 1.431806
H -1.978557 -1.682799 2.062158
H 0.006068 -2.108232 -1.536626
H -2.675205 0.719650 -1.797065
H -3.977268 -1.557057 0.056574
H -2.495638 0.670683 2.524637
H 0.227980 0.108603 2.295242
H -0.803808 -4.007398 -2.888066
H -4.413961 2.490124 -1.697270
H -4.773007 -3.470165 -1.303179
H -4.234723 2.425253 2.606197
H -3.192498 -4.699927 -2.782357
H -5.204897 3.342716 0.504619


%chk=000217318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217318

0 1
O 0.863395 -0.136994 0.543505
O 0.129412 -0.143504 -1.659894
O -0.582162 -1.103828 2.581283
N 4.956209 0.496442 0.957742
C 4.586724 0.030721 -0.418623
C 4.139529 1.747171 1.074836
C 4.623347 1.325929 -1.313800
C 4.319300 2.486165 -0.304509
C 3.161781 -0.578800 -0.333387
C 2.667960 1.317955 1.319293
C 2.160124 0.502570 0.118054
C 6.409888 0.707362 1.152312
C -0.095091 -0.381473 -0.453994
C -1.435428 -0.876869 0.149660
C -1.210946 -1.754333 1.439313
C -2.161557 -1.825151 -0.835389
C -2.254552 0.419936 0.403756
C -1.439688 -2.742447 -1.641390
C -2.591691 1.237888 -0.708658
C -3.577659 -1.897152 -0.831799
C -2.695231 0.804104 1.694741
C -2.116290 -3.691312 -2.438714
C -3.357174 2.409502 -0.536282
C -4.256132 -2.848129 -1.624992
C -3.469600 1.976193 1.863405
C -3.528401 -3.749580 -2.434441
C -3.803363 2.783635 0.753555
H 5.297270 -0.741283 -0.760754
H 4.491112 2.351861 1.928315
H 3.887776 1.275870 -2.135994
H 5.619832 1.451232 -1.772816
H 5.160983 3.199089 -0.254694
H 3.419117 3.063334 -0.581634
H 3.179956 -1.395098 0.411095
H 2.852696 -0.992308 -1.310437
H 2.021481 2.200441 1.478975
H 2.640911 0.694996 2.231675
H 1.909690 1.161447 -0.732990
H 6.933445 -0.257573 1.031839
H 6.588017 1.059230 2.183937
H 6.876581 1.441814 0.452651
H -0.638047 -2.655874 1.135427
H -2.200425 -2.087013 1.797352
H -0.345465 -2.705855 -1.670435
H -2.254387 0.947769 -1.710428
H -4.152754 -1.199675 -0.213296
H -2.410356 0.206781 2.564856
H 0.238885 -0.657584 2.237494
H -1.541057 -4.383836 -3.063588
H -3.608643 3.026490 -1.406390
H -5.351288 -2.883798 -1.610401
H -3.805117 2.259350 2.867707
H -4.053408 -4.485482 -3.053743
H -4.401009 3.692176 0.889794


