%chk=000256755.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256755

0 1
O 1.221808 0.758701 1.567957
N -1.025763 1.040410 -0.110904
N 3.985507 1.077846 1.478367
C -0.347339 -0.139163 -0.712908
C 1.158530 0.061843 -0.701745
C -0.691984 -1.466000 -0.043160
C 1.885992 0.486367 0.400914
C 1.870257 -0.221076 -1.905546
C 3.320107 0.642976 0.337189
C -2.446266 1.121369 -0.161970
C 3.993619 0.350112 -0.876986
C 3.235051 -0.087934 -2.000105
C -1.109555 -2.542524 -0.839124
C -0.600006 -1.627190 1.345294
C -3.095436 1.976093 0.759491
C -3.205668 0.473612 -1.156663
C 5.417742 0.517334 -0.898302
C -1.435779 -3.766750 -0.248600
C -0.929287 -2.851512 1.933105
C -5.227197 1.545697 -0.328364
C -4.468427 2.183794 0.666914
C -4.581108 0.690770 -1.232918
C -1.348273 -3.923104 1.138222
C 6.067080 0.945533 0.229814
C 5.304277 1.219777 1.416143
C -6.704651 1.760493 -0.408286
H -0.689366 -0.177317 -1.790143
H -0.623129 1.312060 0.795285
H 1.297018 -0.554396 -2.774004
H 3.753000 -0.311926 -2.930767
H -1.183598 -2.431787 -1.918937
H -0.262162 -0.796973 1.969273
H -2.524075 2.480713 1.534031
H -2.728468 -0.194941 -1.867361
H 5.959075 0.298942 -1.819170
H -1.760985 -4.598746 -0.870309
H -0.858776 -2.969842 3.012912
H -4.958127 2.847342 1.378132
H -5.157567 0.185257 -2.006201
H -1.605838 -4.875143 1.597299
H 1.853564 1.077280 2.283574
H 7.146024 1.084408 0.252503
H 5.814939 1.563871 2.324520
H -7.083306 1.658129 -1.433311
H -7.237997 1.026342 0.212577
H -6.997157 2.758751 -0.058134


%chk=000256755-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256755

0 1
O 1.243628 1.005108 1.581521
N -1.098889 0.835616 0.080814
N 3.846386 1.315933 1.419550
C -0.409349 -0.240136 -0.630547
C 1.106096 0.006703 -0.667062
C -0.691409 -1.660915 -0.077436
C 1.831267 0.570876 0.391781
C 1.850489 -0.398639 -1.826146
C 3.255700 0.740554 0.307158
C -2.467067 1.101933 -0.045385
C 3.978860 0.327429 -0.863890
C 3.236222 -0.253083 -1.940624
C -0.956085 -2.732507 -0.963483
C -0.667057 -1.909721 1.317188
C -3.033346 2.192171 0.681002
C -3.329449 0.348258 -0.893521
C 5.395506 0.540429 -0.845107
C -1.186770 -4.037108 -0.469891
C -0.898734 -3.210715 1.813305
C -5.262921 1.771560 -0.293994
C -4.397733 2.511839 0.555652
C -4.693751 0.691247 -1.011792
C -1.157136 -4.279905 0.922231
C 5.993045 1.122002 0.279105
C 5.180524 1.497867 1.396926
C -6.742107 2.105332 -0.399622
H -0.754049 -0.231034 -1.685953
H -0.574636 1.301749 0.825238
H 1.290851 -0.843475 -2.657410
H 3.755796 -0.576992 -2.848796
H -0.990687 -2.546935 -2.045745
H -0.475116 -1.079418 2.005886
H -2.388334 2.793371 1.334674
H -2.949472 -0.517447 -1.444117
H 5.999226 0.245697 -1.711004
H -1.397086 -4.857252 -1.166000
H -0.881592 -3.392813 2.894042
H -4.800368 3.358871 1.126159
H -5.332993 0.092508 -1.673665
H -1.340238 -5.288583 1.309619
H 2.017523 1.361474 2.130147
H 7.072478 1.295352 0.320059
H 5.631538 1.954365 2.284583
H -7.153657 1.811913 -1.382299
H -7.335554 1.578354 0.374157
H -6.923247 3.187664 -0.267714


