%chk=000239109.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239109

0 1
O -1.668452 3.905763 -1.611867
O -0.571393 5.719821 0.048361
N 5.453243 -1.633220 -0.189106
N -4.056656 -3.267456 -0.575885
C 0.175233 0.206609 1.254877
C 1.547322 -0.276043 0.825657
C -0.932353 -0.684841 0.726936
C -0.047669 1.665253 0.892647
C 2.130348 -1.359317 1.503337
C -2.156285 -0.733652 1.413609
C 2.254461 0.315474 -0.228812
C -0.779756 -1.461675 -0.428770
C -0.792135 2.027489 -0.246005
C 0.508177 2.657030 1.710270
C 4.105770 -1.237782 0.083785
C -3.044960 -2.329418 -0.197599
C 3.385475 -1.839467 1.142519
C -3.200302 -1.536458 0.963433
C 3.513254 -0.153824 -0.601020
C -1.816095 -2.270699 -0.891882
C -0.975372 3.374341 -0.536960
C 0.329962 4.015474 1.420885
C -0.414500 4.377593 0.299263
C 5.802482 -3.039664 0.159078
C 5.986730 -1.263035 -1.530079
C -5.445141 -2.940638 -0.144731
C -4.027631 -3.727349 -1.992749
C -2.388721 2.977092 -2.456862
H 0.141661 0.139768 2.381323
H 1.591410 -1.839321 2.320709
H -2.297819 -0.130513 2.310917
H 1.821491 1.158717 -0.770154
H 0.164614 -1.440100 -0.976352
H -1.217543 1.252558 -0.880780
H 1.097928 2.377403 2.582704
H 3.813004 -2.673310 1.694821
H -4.130722 -1.559532 1.526146
H 4.037643 0.339691 -1.415596
H -1.656065 -2.871169 -1.783995
H 0.759942 4.790452 2.053227
H 5.605181 -3.212603 1.231984
H 6.882134 -3.197394 0.004287
H 5.250505 -3.793201 -0.423312
H 7.053041 -1.535750 -1.587489
H 5.931345 -0.167118 -1.656011
H 5.457675 -1.740041 -2.369202
H -5.473046 -2.834921 0.954442
H -6.114238 -3.778281 -0.400471
H -5.847570 -2.020384 -0.594779
H -3.045949 -4.184805 -2.209504
H -4.211767 -2.927842 -2.726297
H -4.784118 -4.516033 -2.136438
H -1.128627 5.862268 -0.765205
H -3.129432 2.425148 -1.870179
H -1.686626 2.305176 -2.959564
H -2.872192 3.653235 -3.172957


%chk=000239109-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000239109

0 1
O -1.673804 4.050513 -1.561155
O -0.508936 5.815304 0.085237
N 5.387103 -1.830742 -0.417788
N -4.292817 -3.040788 -0.770433
C 0.156030 0.175634 1.203154
C 1.545676 -0.318048 0.765382
C -0.989037 -0.704061 0.670140
C -0.056983 1.671299 0.901720
C 2.145192 -1.418053 1.429482
C -2.241846 -0.706593 1.335748
C 2.265795 0.258241 -0.308443
C -0.872913 -1.506107 -0.490253
C -0.808605 2.102441 -0.222273
C 0.537815 2.647163 1.738341
C 4.130343 -1.339721 -0.034506
C -3.214289 -2.275940 -0.301369
C 3.402552 -1.924165 1.051098
C -3.331834 -1.467084 0.874534
C 3.526153 -0.231303 -0.706320
C -1.951461 -2.276378 -0.972391
C -0.952516 3.476883 -0.486490
C 0.394625 4.028163 1.474109
C -0.350507 4.449538 0.358990
C 5.991456 -2.949479 0.311975
C 6.118110 -1.190651 -1.515383
C -5.563543 -3.042925 -0.038845
C -4.130026 -3.882251 -1.959751
C -2.351174 3.136174 -2.480495
H 0.129974 0.081598 2.309893
H 1.612106 -1.894060 2.263092
H -2.368923 -0.091833 2.236591
H 1.844196 1.121333 -0.836311
H 0.086098 -1.544440 -1.019394
H -1.284068 1.352514 -0.861847
H 1.129354 2.323525 2.602694
H 3.820121 -2.770790 1.603886
H -4.272371 -1.436149 1.432261
H 4.041899 0.259812 -1.536748
H -1.803106 -2.886206 -1.868464
H 0.848353 4.786024 2.119746
H 6.156241 -2.707923 1.383214
H 6.969186 -3.192680 -0.133923
H 5.361520 -3.861950 0.265189
H 7.076854 -1.710743 -1.671283
H 6.340223 -0.123960 -1.301735
H 5.551074 -1.232533 -2.468390
H -5.446513 -3.418477 0.999456
H -6.283353 -3.697654 -0.555683
H -6.009604 -2.028369 0.018048
H -3.342645 -4.652833 -1.820930
H -3.861317 -3.283963 -2.855015
H -5.077444 -4.402016 -2.174703
H -1.066028 5.900972 -0.733660
H -3.100953 2.521237 -1.947084
H -1.623964 2.473250 -2.987572
H -2.850576 3.778752 -3.220740


