%chk=000184820.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184820

0 1
O 2.012928 0.596106 -0.557131
O 3.001279 -2.276451 -2.494873
O 0.213945 1.286087 2.663285
N 0.423934 -2.880105 -0.731409
C 2.131284 -1.432637 -1.736828
C 1.663425 -2.106682 -0.433671
C 2.899601 -0.117461 -1.464372
C -0.284621 -3.290876 0.520823
C -0.613584 1.081290 0.421721
C -1.656615 0.092525 0.952228
C -1.469245 -4.202393 0.163875
C 1.568209 2.269905 0.999827
C 2.413322 1.801230 -0.029842
C 0.374633 1.502324 1.481631
C -2.771020 -0.093228 -0.040844
C 1.896263 3.481722 1.619136
C 3.541326 2.519256 -0.448399
C -2.264962 -4.580734 1.409065
C 3.011409 4.217707 1.207019
C -4.008175 0.538020 0.154750
C -2.575021 -0.899494 -1.173551
C 3.826267 3.735368 0.178010
C -5.039546 0.360912 -0.772377
C -3.608307 -1.071913 -2.096528
C -4.842772 -0.443200 -1.898742
H 1.279801 -1.260887 -2.441588
H 2.480648 -2.714608 0.006381
H 1.420430 -1.315293 0.320566
H 3.032841 0.473728 -2.385522
H 3.870407 -0.284033 -0.972064
H 0.661908 -3.705220 -1.294488
H 0.378086 -3.791460 1.257527
H -0.664645 -2.354038 1.011986
H -1.111480 1.989212 0.017226
H -0.085503 0.636667 -0.454630
H -2.040272 0.440791 1.934786
H -1.169021 -0.893072 1.164639
H -2.130256 -3.684292 -0.563326
H -1.112945 -5.116183 -0.349389
H 1.269965 3.846689 2.437850
H 3.704073 -2.667342 -1.939141
H 4.181656 2.153899 -1.243938
H -3.108057 -5.233586 1.153303
H -2.682276 -3.696101 1.906020
H -1.649756 -5.112371 2.143393
H -4.167868 1.166410 1.028296
H -1.612160 -1.394068 -1.330146
H 3.247548 5.161812 1.693012
H 4.696911 4.311071 -0.139992
H -5.998193 0.851546 -0.615288
H -3.451812 -1.697842 -2.973213
H -5.645786 -0.579911 -2.618763


%chk=000184820-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184820

0 1
O 1.806818 0.799155 -0.341538
O 2.463410 -2.210822 -2.417698
O -0.404619 3.120460 2.248584
N 0.272735 -3.107895 -0.581366
C 1.751213 -1.341557 -1.454118
C 1.309760 -2.132865 -0.214544
C 2.639085 -0.130952 -1.123178
C -0.224222 -3.957835 0.520946
C -0.848543 1.954124 0.178096
C -1.659671 0.794190 0.835286
C -1.357373 -4.885348 0.040092
C 1.538414 2.875108 0.867065
C 2.371265 2.009087 0.091990
C 0.081570 2.643757 1.177278
C -2.739209 0.258097 -0.093336
C 2.120631 4.056058 1.402414
C 3.720890 2.355470 -0.169526
C -1.888276 -5.797969 1.165951
C 3.460398 4.405716 1.148492
C -3.969028 0.954046 -0.236034
C -2.534373 -0.922565 -0.853925
C 4.256622 3.552358 0.351151
C -4.969719 0.486790 -1.116681
C -3.535475 -1.390943 -1.737061
C -4.755021 -0.689264 -1.874172
H 0.858470 -1.007786 -2.007867
H 2.219873 -2.598191 0.256720
H 0.894640 -1.427441 0.530380
H 2.976886 0.344985 -2.063827
H 3.525659 -0.436239 -0.525531
H 0.551884 -3.658817 -1.405709
H 0.585636 -4.575896 0.986621
H -0.610776 -3.292684 1.319760
H -1.568719 2.730008 -0.152826
H -0.306134 1.591582 -0.706324
H -2.102320 1.186949 1.769569
H -0.959156 -0.015188 1.114165
H -2.175538 -4.259893 -0.364326
H -0.987244 -5.509902 -0.799792
H 1.478156 4.690995 2.021395
H 3.239031 -2.625511 -1.955933
H 4.359502 1.699299 -0.767215
H -2.701196 -6.450416 0.799802
H -2.290053 -5.199423 2.004861
H -1.087721 -6.447884 1.567277
H -4.144400 1.862088 0.355623
H -1.598217 -1.492396 -0.758712
H 3.878289 5.329464 1.560555
H 5.299861 3.810457 0.137535
H -5.915245 1.033760 -1.209852
H -3.359839 -2.305171 -2.316660
H -5.530412 -1.054354 -2.557555


