%chk=000216624.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216624

0 1
O 2.545814 1.642569 -0.608976
N -1.627270 1.028479 0.497515
N 1.789715 -0.491637 -0.382389
N 4.703755 2.096928 1.072445
C -2.795706 0.130515 0.177997
C -4.005658 -1.327579 -1.509121
C -4.067148 -1.933722 0.935952
C -5.334792 0.075109 0.109350
C -2.764329 -0.445273 -1.267125
C -2.830462 -1.048355 1.191788
C -4.099356 0.960055 0.366641
C -4.014594 -2.496652 -0.500734
C -5.284495 -0.481389 -1.330010
C -5.350422 -1.095628 1.114756
C -0.315365 0.350165 0.663775
C -1.538906 2.235764 -0.392620
C 0.391967 -0.082281 -0.643669
C -0.481225 3.226390 0.091796
C 2.807330 0.464677 -0.364577
C 4.174584 -0.020110 -0.049987
C 5.088332 0.833860 0.626087
C 4.607899 -1.297158 -0.448922
C 6.399097 0.362707 0.922336
C 5.890165 -1.746635 -0.162910
C 6.781301 -0.909320 0.534137
H -3.971837 -1.732479 -2.545365
H -4.069902 -2.775673 1.664037
H -6.255858 0.686733 0.238110
H -1.842478 -1.037385 -1.421723
H -2.734787 0.372625 -2.006381
H -2.852785 -0.647344 2.221944
H -1.911801 -1.656467 1.116682
H -4.108975 1.831810 -0.312812
H -4.125884 1.374702 1.391173
H -3.117628 -3.124836 -0.633776
H -4.882065 -3.153492 -0.685362
H -6.179644 -1.093435 -1.534643
H -5.301855 0.345491 -2.060511
H -5.416126 -0.711718 2.147626
H -6.244453 -1.723420 0.960220
H -0.439589 -0.527673 1.333687
H 0.346504 1.057986 1.218791
H -2.537647 2.732648 -0.375609
H -1.335745 1.964577 -1.452791
H -0.153981 -0.923388 -1.129111
H 0.398722 0.766383 -1.371736
H -0.583676 4.187237 -0.422167
H 0.542483 2.862979 -0.098419
H -0.569216 3.411126 1.169223
H 1.934493 -1.424690 -0.017040
H 3.928623 -1.943597 -1.008382
H 7.093696 1.005868 1.455580
H 6.211292 -2.735028 -0.477890
H 5.420784 2.752736 1.336359
H 3.874112 2.524898 0.655336
H 7.786088 -1.268955 0.762014


%chk=000216624-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216624

0 1
O 2.618107 1.629460 -0.546001
N -1.619904 1.020965 0.316437
N 1.860984 -0.536859 -0.273373
N 5.028103 2.261261 0.340394
C -2.814446 0.136202 0.069058
C -4.301467 -1.096986 -1.631202
C -3.941390 -2.091953 0.668079
C -5.362121 -0.023138 0.405052
C -3.038595 -0.209839 -1.444670
C -2.680908 -1.202619 0.853323
C -4.097005 0.854968 0.601862
C -4.127494 -2.418780 -0.837895
C -5.548768 -0.337615 -1.103952
C -5.195543 -1.347239 1.193965
C -0.305472 0.415596 0.595450
C -1.557902 2.263331 -0.498837
C 0.481215 -0.167784 -0.630333
C -0.630360 3.345523 0.093124
C 2.881652 0.398845 -0.254455
C 4.250200 -0.064735 0.116993
C 5.274505 0.906682 0.430590
C 4.587822 -1.447341 0.171857
C 6.561506 0.435255 0.847255
C 5.860660 -1.894830 0.564084
C 6.846778 -0.934720 0.916028
H -4.432154 -1.323341 -2.708539
H -3.798664 -3.031910 1.237767
H -6.246702 0.527424 0.782536
H -2.147440 -0.734991 -1.843631
H -3.154663 0.724266 -2.028720
H -2.527891 -0.982512 1.928677
H -1.798121 -1.771264 0.498740
H -4.244454 1.819485 0.078625
H -3.942054 1.087458 1.673075
H -3.248834 -2.978115 -1.219235
H -5.014393 -3.068570 -0.978917
H -6.459153 -0.952297 -1.254141
H -5.690247 0.602559 -1.674325
H -5.086472 -1.133722 2.276126
H -6.094985 -1.983595 1.071706
H -0.412299 -0.370208 1.362140
H 0.341876 1.191603 1.039454
H -2.580238 2.676912 -0.556724
H -1.241033 2.071737 -1.553448
H -0.023602 -1.063352 -1.037268
H 0.535745 0.596068 -1.424945
H -0.770601 4.293682 -0.459066
H 0.435350 3.068656 0.010134
H -0.874762 3.523174 1.156325
H 2.035567 -1.473132 0.089301
H 3.849831 -2.200200 -0.132315
H 7.333253 1.171862 1.102788
H 6.090992 -2.964299 0.587416
H 5.751593 2.933242 0.581701
H 4.111740 2.543355 -0.038272
H 7.843755 -1.263927 1.230795


