%chk=000277533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277533

0 1
S 2.850182 -1.135495 -0.561346
O 3.083214 -2.077283 0.502744
O 3.731748 -1.130505 -1.714064
N 1.317194 -1.496144 -1.314810
N 0.250275 -1.418606 -0.473469
C -2.068669 -1.666746 0.144559
C -3.187965 -0.870484 -0.499336
C -2.540679 -3.050727 0.604774
C 2.674815 0.451245 0.061949
C -0.930511 -1.816776 -0.847672
C -3.459337 0.428752 -0.044458
C -3.952600 -1.407161 -1.546195
C 2.001408 0.666074 1.269841
C 3.214532 1.538957 -0.638281
C 2.410921 3.049883 1.081684
C 1.869438 1.958475 1.780386
C 3.086533 2.830821 -0.134109
C -4.485209 1.178278 -0.627002
C -4.977311 -0.654807 -2.126152
C -5.246671 0.638845 -1.668157
C 2.279509 4.436788 1.614776
H -1.700158 -1.113372 1.051339
H -2.856037 -3.684256 -0.231207
H -3.391817 -2.966246 1.290877
H -1.737579 -3.581100 1.132172
H -1.202184 -2.258064 -1.811604
H -2.868867 0.859200 0.762410
H -3.751469 -2.413761 -1.907255
H 1.575116 -0.181738 1.819125
H 3.744712 1.371440 -1.584144
H 1.250247 -1.933581 -2.244042
H 1.346336 2.116522 2.721382
H 3.509366 3.671990 -0.680018
H -4.690583 2.185438 -0.268446
H -5.567667 -1.077901 -2.937154
H -6.045027 1.222905 -2.120482
H 1.718050 4.484795 2.557556
H 3.266277 4.885831 1.806466
H 1.762367 5.094215 0.899368


%chk=000277533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277533

0 1
S 2.817781 -1.085543 -0.324619
O 2.816232 -2.099941 0.945739
O 3.923469 -1.198715 -1.512555
N 1.173843 -1.197754 -1.318177
N 0.078216 -1.294135 -0.482274
C -2.255682 -1.891577 -0.010134
C -3.379327 -1.075421 -0.679596
C -2.635066 -3.354104 0.325478
C 2.728113 0.672634 0.315237
C -1.023402 -1.872383 -0.896855
C -3.171423 0.312929 -0.902396
C -4.607906 -1.648390 -1.091520
C 2.239757 0.878542 1.613170
C 3.183097 1.704892 -0.521429
C 2.645247 3.291591 1.290338
C 2.203322 2.207697 2.092559
C 3.136770 3.020882 -0.016424
C -4.164459 1.106699 -1.513967
C -5.604791 -0.855374 -1.708101
C -5.388181 0.523757 -1.921686
C 2.609572 4.715299 1.814994
H -1.969357 -1.379684 0.928773
H -2.852031 -3.942160 -0.585955
H -3.526589 -3.389617 0.977349
H -1.801807 -3.846764 0.855280
H -1.119849 -2.332853 -1.901028
H -2.221440 0.766909 -0.594140
H -4.799495 -2.714052 -0.929058
H 1.915511 0.031691 2.225363
H 3.571875 1.481868 -1.520032
H 1.329701 -1.931778 -2.046603
H 1.826369 2.402315 3.102783
H 3.487938 3.848426 -0.643705
H -3.986475 2.176240 -1.673926
H -6.549900 -1.315728 -2.018380
H -6.160829 1.137332 -2.398391
H 2.145782 4.769252 2.814071
H 3.629721 5.135797 1.893281
H 2.037594 5.376922 1.138544


