%chk=000286926.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286926

0 1
S -0.137609 -0.000082 -1.279129
O -0.899821 0.000392 0.236142
O -0.430174 1.254247 -1.917788
O -0.430688 -1.254492 -1.917412
O 6.017942 -1.083926 0.988001
O 6.017171 1.081257 0.991330
N 5.494085 -0.001222 0.794871
C -2.292871 0.000639 0.250185
C -2.969360 1.236394 0.316706
C -2.969678 -1.234983 0.317136
C -5.061722 0.001012 0.505874
C -4.363671 1.216452 0.442561
C -4.363937 -1.214671 0.442901
C 1.498252 -0.000371 -0.683978
C -2.218806 2.520096 0.242958
C -2.219330 -2.518838 0.243820
C -6.551384 0.000907 0.623205
C 2.145506 -1.216279 -0.450060
C 2.144632 1.215273 -0.446315
C 3.457481 -1.224478 0.034574
C 3.456603 1.222911 0.038356
C 4.094739 -0.000921 0.274394
H -4.909798 2.156119 0.489902
H -4.910378 -2.154146 0.490476
H -2.848971 3.396695 0.433884
H -1.771052 2.651582 -0.762382
H -1.390956 2.540797 0.966023
H -1.773538 -2.651752 -0.762202
H -1.389964 -2.538528 0.965189
H -2.849135 -3.395110 0.437361
H -6.928486 -0.877934 1.163238
H -6.930208 0.887404 1.149269
H -7.016950 -0.007406 -0.374338
H 1.635103 -2.166966 -0.651032
H 1.633597 2.166210 -0.644377
H 3.983715 -2.167023 0.225581
H 3.982159 2.165239 0.232276


%chk=000286926-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286926

0 1
S -0.012768 -0.001972 -1.601446
O -1.010902 -0.003050 0.300945
O -0.196579 1.417141 -2.399126
O -0.193984 -1.420959 -2.399931
O 6.107956 -1.138150 1.186187
O 6.106123 1.143218 1.186506
N 5.560727 0.002129 0.933707
C -2.369524 -0.001484 0.324270
C -3.076965 1.257897 0.374964
C -3.080051 -1.259239 0.373530
C -5.195441 0.001809 0.592032
C -4.475008 1.227771 0.523742
C -4.477932 -1.225889 0.522344
C 1.709000 -0.000699 -0.830656
C -2.308612 2.557289 0.287774
C -2.314762 -2.560353 0.285075
C -6.705146 0.003320 0.703217
C 2.312169 -1.240355 -0.557042
C 2.310171 1.239837 -0.556622
C 3.595698 -1.239560 0.026074
C 3.593695 1.240922 0.026496
C 4.206898 0.001127 0.311350
H -5.026092 2.174082 0.581866
H -5.031331 -2.170928 0.579384
H -2.982287 3.424573 0.385093
H -1.771591 2.633928 -0.675202
H -1.541784 2.612938 1.082132
H -1.777593 -2.637201 -0.677787
H -1.548284 -2.618724 1.079578
H -2.990522 -3.426148 0.381237
H -7.075818 -0.888263 1.237962
H -7.075251 0.903054 1.224366
H -7.169568 -0.004434 -0.303205
H 1.800420 -2.173219 -0.812430
H 1.796918 2.171962 -0.811707
H 4.122004 -2.167978 0.260906
H 4.118511 2.170109 0.261617


