%chk=000196398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196398

0 1
O -1.813097 0.462042 1.367929
O -4.184405 0.283498 -2.598017
O 3.677372 -2.895506 -0.820046
O 6.128367 -1.476959 -0.039005
N 1.117063 2.524599 0.540912
N -3.255089 0.173680 -0.447084
C -1.231998 1.463993 -0.823679
C 0.167419 0.840035 -0.957934
C 1.010997 1.038227 0.325420
C -1.132750 2.930621 -0.366698
C -0.233635 3.082217 0.872503
C -2.033418 1.335983 -2.140923
C -2.069197 0.663331 0.207910
C 2.374359 0.383948 0.197644
C 2.130170 2.851352 1.590550
C 3.510954 2.488093 1.022057
C 3.557739 1.065968 0.542358
C -3.292333 0.553004 -1.836680
C 2.443711 -0.954904 -0.214503
C 4.801547 0.429426 0.419531
C -4.285681 -0.604968 0.206929
C 3.680287 -1.594741 -0.324738
C 4.868994 -0.894342 -0.022988
C -5.599554 -0.584112 -0.293566
C -3.965826 -1.376660 1.337869
C -6.585312 -1.340373 0.343148
C -4.967931 -2.121584 1.962498
C -6.276564 -2.108387 1.470166
C 4.120870 -3.885089 0.150064
C 6.526776 -2.011694 -1.331736
H 0.700775 1.319292 -1.806951
H 0.094319 -0.235790 -1.203815
H 0.481968 0.536960 1.189559
H -2.134245 3.349648 -0.157261
H -0.703625 3.534004 -1.195201
H -0.123214 4.159623 1.119254
H -0.707307 2.588995 1.752819
H -1.456915 0.825969 -2.939983
H -2.294200 2.320544 -2.578379
H 1.955887 2.322103 2.552230
H 2.086540 3.940498 1.804742
H 4.290903 2.678518 1.784964
H 3.744904 3.157979 0.163397
H 1.542678 -1.520571 -0.453588
H 5.726615 0.949179 0.665595
H -5.852310 0.000837 -1.180676
H -2.950436 -1.386703 1.739768
H -7.603325 -1.328927 -0.045846
H -4.722812 -2.717544 2.841357
H -7.050941 -2.693304 1.961330
H 4.135129 -4.803793 -0.445322
H 3.391509 -3.948306 0.961953
H 5.117276 -3.631606 0.528995
H 7.454722 -2.539086 -1.087554
H 6.708786 -1.180802 -2.018662
H 5.764283 -2.693412 -1.726516


%chk=000196398-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196398

0 1
O -1.850657 0.041691 1.327774
O -4.379754 0.455519 -2.620250
O 4.023417 -2.951727 -0.692038
O 6.396657 -1.308102 -0.152263
N 1.064811 2.366621 0.590868
N -3.396696 0.115742 -0.474069
C -1.247238 1.173223 -0.828250
C 0.198843 0.608237 -0.905471
C 1.054941 0.894483 0.357919
C -1.191572 2.668031 -0.367235
C -0.299884 2.871195 0.870916
C -2.002249 1.039143 -2.174969
C -2.136414 0.380980 0.153819
C 2.473900 0.330653 0.216772
C 2.070599 2.774652 1.596906
C 3.474781 2.542829 1.014443
C 3.623261 1.111107 0.521043
C -3.401342 0.531584 -1.843804
C 2.650153 -1.022900 -0.164204
C 4.909609 0.537604 0.374740
C -4.524574 -0.496063 0.190856
C 3.928916 -1.596463 -0.286929
C 5.080985 -0.793626 -0.048532
C -5.833581 -0.021013 -0.069821
C -4.318059 -1.567012 1.094845
C -6.933571 -0.623986 0.576337
C -5.426803 -2.154752 1.740521
C -6.736811 -1.689494 1.484377
C 4.631688 -3.848877 0.318182
C 6.777491 -1.747258 -1.515027
H 0.706176 1.079347 -1.769490
H 0.153962 -0.479943 -1.095518
H 0.566400 0.376243 1.221102
H -2.213180 3.050189 -0.174537
H -0.759648 3.252627 -1.202031
H -0.230797 3.953279 1.089300
H -0.756946 2.375788 1.761594
H -1.520168 0.299475 -2.842098
H -2.071601 1.985400 -2.736841
H 1.957710 2.213519 2.558846
H 1.922792 3.847439 1.819717
H 4.247532 2.763116 1.775751
H 3.626227 3.250433 0.176013
H 1.792556 -1.677262 -0.353402
H 5.808550 1.126929 0.588692
H -5.989704 0.795149 -0.778609
H -3.306612 -1.923477 1.300244
H -7.944809 -0.257687 0.369074
H -5.263718 -2.979865 2.442215
H -7.594037 -2.152126 1.985451
H 4.677125 -4.840117 -0.158488
H 3.992391 -3.893863 1.220511
H 5.644442 -3.503745 0.594580
H 7.791314 -2.164583 -1.416194
H 6.792877 -0.880211 -2.202742
H 6.077114 -2.513075 -1.894496


