%chk=000270239.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270239

0 1
S 1.617679 0.323144 -0.140877
O -5.017043 1.178097 1.471705
N -3.334015 0.571659 -0.629423
N -1.349014 1.703386 -0.464319
N -4.708937 0.377031 -0.679377
N -2.451944 -1.775799 -0.398957
N -0.016440 -1.805540 -0.175762
C -2.345165 -0.410272 -0.446253
C -1.101231 0.323030 -0.374200
C 0.068813 -0.458165 -0.234099
C 2.796230 -1.056876 0.031842
C -2.670030 1.847828 -0.591667
C 4.126515 -0.387133 0.116104
C 4.642065 0.004385 1.362515
C 4.870609 -0.145338 -1.050236
C -1.259103 -2.405112 -0.259717
C -5.474519 0.568179 0.537715
C 5.890186 0.627494 1.438334
C 6.118152 0.478076 -0.966995
C 6.630432 0.864681 0.275628
C -6.871073 0.044532 0.419403
H 2.711061 -1.752988 -0.827193
H 2.556306 -1.664363 0.928394
H -3.223984 2.776149 -0.671564
H -4.960973 -0.418412 -1.293104
H 4.068243 -0.172854 2.271186
H 4.475073 -0.439371 -2.021351
H -1.269485 -3.506338 -0.207245
H 6.285929 0.930658 2.406576
H 6.691709 0.664587 -1.873706
H 7.602169 1.350599 0.337577
H -7.370723 0.344698 -0.513344
H -7.489548 0.428441 1.250477
H -6.906044 -1.053691 0.482034


%chk=000270239-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270239

0 1
S 1.585463 0.636314 -0.180105
O -5.104527 0.949772 1.594402
N -3.436086 0.578924 -0.616510
N -1.526075 1.832987 -0.497278
N -4.795831 0.282200 -0.621072
N -2.459242 -1.696160 -0.392729
N -0.016265 -1.613176 -0.183909
C -2.388942 -0.342285 -0.451414
C -1.209908 0.461455 -0.398525
C 0.013455 -0.247956 -0.258344
C 2.788194 -0.854745 0.011970
C -2.858721 1.865743 -0.619041
C 4.199777 -0.332366 0.111078
C 4.762551 -0.007818 1.372954
C 4.989036 -0.158724 -1.055614
C -1.222296 -2.259606 -0.253115
C -5.566189 0.416544 0.555719
C 6.086233 0.475423 1.467894
C 6.312993 0.324461 -0.963357
C 6.865442 0.643025 0.299233
C -6.981835 -0.125767 0.421437
H 2.621905 -1.495786 -0.866382
H 2.459185 -1.395614 0.911560
H -3.471087 2.760431 -0.700317
H -5.138103 -0.250412 -1.423857
H 4.159262 -0.134349 2.279994
H 4.562185 -0.402836 -2.035878
H -1.187175 -3.350638 -0.189583
H 6.508942 0.719687 2.448763
H 6.912231 0.451469 -1.871847
H 7.892760 1.017257 0.371696
H -7.266272 -0.363507 -0.617787
H -7.690107 0.613246 0.829516
H -7.069053 -1.042790 1.030549


