%chk=000206848.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206848

0 1
O -3.055704 0.500886 -1.331233
O -1.289886 -0.573924 -2.181213
O -0.472066 0.110385 1.922083
O 2.312306 -0.916569 1.600121
N 0.605808 -0.642911 0.028583
N 2.809896 0.075078 -0.450083
C -3.731687 0.716730 -0.008890
C -1.857942 -0.900575 0.203207
C -3.062249 -0.298881 0.947225
C -5.219887 0.400666 -0.301990
C -1.994964 -0.344503 -1.228495
C -1.884090 -2.442066 0.156547
C -3.425790 2.158737 0.346977
C -0.534007 -0.425111 0.841961
C -5.756446 1.276396 -1.436674
C -6.068780 0.554654 0.962030
C -1.592554 -3.079523 1.508591
C 1.968382 -0.514582 0.515003
C 4.229305 0.236619 -0.310763
C 4.912438 0.822963 -1.397062
C 4.926777 -0.165083 0.839769
C 6.294065 0.998196 -1.316846
C 6.309538 0.020182 0.895576
C 6.997452 0.598673 -0.175440
H -2.745804 0.188503 1.896221
H -3.769417 -1.087797 1.263158
H -5.269640 -0.666787 -0.642137
H -1.149070 -2.802827 -0.595077
H -2.874570 -2.777539 -0.215072
H -4.037993 2.508536 1.186947
H -3.619913 2.825238 -0.506343
H -2.372359 2.301873 0.623967
H -5.086199 1.241139 -2.308609
H -6.743890 0.935720 -1.766557
H -5.854606 2.326102 -1.140471
H -5.715713 -0.079750 1.781689
H -7.112089 0.277837 0.763504
H -6.079464 1.589404 1.324961
H -1.707552 -4.169616 1.463605
H -2.261632 -2.711146 2.295592
H -0.565074 -2.881159 1.847745
H 0.466925 -0.945061 -0.951352
H 2.398010 0.459458 -1.305486
H 4.379170 1.137823 -2.290172
H 4.399088 -0.613890 1.687675
H 6.827318 1.450731 -2.152836
H 6.854007 -0.290521 1.787949
H 8.074355 0.738692 -0.121387


%chk=000206848-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206848

0 1
O -2.980681 0.444799 -1.380229
O -1.024171 -0.557137 -2.102537
O -0.706868 0.007090 2.183644
O 2.232741 -0.373805 1.944202
N 0.564671 -0.485545 0.256452
N 2.748575 0.075360 -0.317407
C -3.724656 0.644176 -0.041440
C -1.852859 -0.971410 0.214782
C -3.191451 -0.523300 0.842763
C -5.233912 0.519238 -0.384069
C -1.882207 -0.367267 -1.203073
C -1.705229 -2.530147 0.111106
C -3.290357 2.025943 0.470887
C -0.613683 -0.415799 1.006525
C -5.702281 1.555421 -1.431944
C -6.107038 0.594203 0.893844
C -1.592966 -3.225429 1.482730
C 1.896782 -0.256440 0.741389
C 4.163763 0.243508 -0.276338
C 4.813670 0.546461 -1.503638
C 4.927490 0.122080 0.914974
C 6.210988 0.723726 -1.542725
C 6.326975 0.298476 0.856161
C 6.979030 0.598841 -0.361420
H -3.040257 -0.201552 1.886083
H -3.907063 -1.364504 0.830785
H -5.358321 -0.491494 -0.826894
H -0.820986 -2.767567 -0.509398
H -2.587932 -2.914130 -0.436772
H -3.858449 2.292002 1.379432
H -3.461849 2.801540 -0.293137
H -2.220182 2.029266 0.740924
H -5.056991 1.537809 -2.326467
H -6.737691 1.330941 -1.746705
H -5.698246 2.580400 -1.017465
H -5.794691 -0.135670 1.662398
H -7.160605 0.382126 0.638216
H -6.072829 1.602629 1.345177
H -1.548317 -4.321025 1.349313
H -2.461942 -2.997780 2.126105
H -0.684876 -2.911238 2.026748
H 0.429551 -0.715944 -0.742991
H 2.314919 0.254594 -1.226951
H 4.225984 0.640343 -2.426439
H 4.424227 -0.098303 1.857756
H 6.698231 0.957358 -2.495686
H 6.910703 0.203042 1.778584
H 8.065089 0.735516 -0.390755


