%chk=000181397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181397

0 1
O -0.423384 3.684523 -1.750110
N 3.631807 0.542700 0.339189
N -4.755485 -0.094531 0.569361
N -0.093039 -1.782263 -1.448861
N 1.567063 -3.052896 -0.296334
C 1.820106 -0.640231 -0.443322
C 3.109544 -0.745026 0.189872
C 1.555324 0.756688 -0.672215
C 2.693992 1.482996 -0.179058
C -2.983782 -1.504505 -0.409717
C -2.084584 -2.732207 -0.236817
C 1.087485 -1.832883 -0.699517
C -3.981714 -1.367220 0.754108
C -1.079320 -2.889456 -1.390262
C 3.621515 -2.013044 0.566388
C 0.469600 1.450272 -1.222153
C 2.756369 2.882536 -0.237897
C 4.930675 0.904513 0.916255
C -3.969181 1.085984 1.064741
C -6.101032 -0.167252 1.230420
C 2.795192 -3.107972 0.299818
C 0.552361 2.841541 -1.258940
C 4.950081 -2.200650 1.214194
C 1.677617 3.563972 -0.779818
C -4.513049 2.374386 0.444614
C -7.034323 -1.071042 0.422887
C -1.638856 3.086561 -2.260526
H -2.370829 -0.584314 -0.481088
H -3.543783 -1.561817 -1.364311
H -1.535357 -2.675846 0.724966
H -2.700758 -3.650163 -0.171648
H -4.684350 -2.229162 0.737591
H -3.452418 -1.415513 1.729267
H -0.540516 -3.863290 -1.293177
H -1.603875 -2.911098 -2.371950
H -0.517073 -0.853055 -1.536101
H -0.388236 0.909893 -1.605661
H 3.624987 3.421577 0.132498
H 4.999018 0.572412 1.968416
H 5.756790 0.441127 0.346078
H 5.078674 1.998161 0.896260
H -2.907094 0.953427 0.755878
H -3.964323 1.167348 2.173128
H -6.528391 0.860677 1.258925
H -6.045351 -0.516413 2.283955
H 3.109657 -4.123630 0.575467
H 5.162080 -3.260081 1.417132
H 5.764013 -1.834927 0.573562
H 5.005334 -1.677738 2.178439
H 1.668462 4.649525 -0.849869
H -4.653821 2.259095 -0.638255
H -5.488677 2.648945 0.861696
H -3.829055 3.212079 0.615286
H -7.048813 -0.770574 -0.633765
H -6.716466 -2.119481 0.450430
H -8.059048 -1.018912 0.803351
H -1.416414 2.445266 -3.118126
H -2.159668 2.542510 -1.466102
H -2.210781 3.970678 -2.570675


%chk=000181397-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181397

0 1
O -0.287806 3.824184 -1.390683
N 4.006973 0.517240 0.032008
N -5.144579 -0.137952 0.480824
N -0.104427 -1.729140 -0.795005
N 1.709179 -3.015741 -0.007369
C 2.031651 -0.620007 -0.306207
C 3.414106 -0.760154 0.072177
C 1.778495 0.790050 -0.552924
C 3.026713 1.462746 -0.336167
C -3.112595 -1.480820 -0.181101
C -2.221645 -2.699185 0.152408
C 1.213865 -1.795206 -0.364687
C -4.326839 -1.348900 0.762097
C -1.025966 -2.873290 -0.815473
C 3.951656 -2.035784 0.426414
C 0.633378 1.554279 -0.907964
C 3.158347 2.860519 -0.479340
C 5.382877 0.917441 0.334899
C -4.559954 1.096016 1.073571
C -6.581099 -0.314028 0.830558
C 3.019476 -3.096449 0.371431
C 0.768692 2.954357 -1.048779
C 5.380254 -2.325225 0.849210
C 2.019408 3.602035 -0.841532
C -4.953918 2.372829 0.305325
C -7.346457 -1.172868 -0.194466
C -1.607990 3.232206 -1.597882
H -2.505103 -0.554008 -0.120292
H -3.486871 -1.550293 -1.221806
H -1.834012 -2.612083 1.186619
H -2.833738 -3.624436 0.113097
H -4.968953 -2.239740 0.629165
H -3.976052 -1.370754 1.825895
H -0.427774 -3.757178 -0.539685
H -1.406765 -3.024899 -1.847311
H -0.439026 -0.837755 -1.151006
H -0.345342 1.088885 -1.051863
H 4.111939 3.369877 -0.308861
H 5.423234 1.542140 1.248244
H 6.015170 0.035923 0.486803
H 5.802417 1.501595 -0.505495
H -3.458521 0.995212 1.051159
H -4.839519 1.202932 2.152761
H -7.046081 0.688418 0.862693
H -6.701357 -0.749684 1.855467
H 3.355599 -4.103604 0.651581
H 5.480173 -3.396091 1.100379
H 6.113383 -2.114281 0.045906
H 5.685607 -1.753134 1.746637
H 2.063779 4.688160 -0.963824
H -4.640384 2.290071 -0.750605
H -6.046297 2.539013 0.317777
H -4.474772 3.262959 0.755337
H -7.287563 -0.711322 -1.195444
H -6.931580 -2.194735 -0.267252
H -8.410742 -1.263784 0.093536
H -1.601569 2.509369 -2.438204
H -1.976985 2.729929 -0.681336
H -2.269190 4.076340 -1.843518


