%chk=000277808.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277808

0 1
S -1.961600 -1.116179 -0.550708
O 0.064420 -0.453426 2.484082
O -6.481104 2.238429 -1.705960
O 0.287240 -1.164420 0.328275
O 5.063028 2.530418 -3.108024
O 6.003467 3.505511 -1.421422
N -3.675105 0.709440 0.439127
N -1.344742 -0.566586 2.429133
N -5.737989 0.202039 -0.690541
N 5.237510 2.691362 -1.911378
C -2.204990 0.529410 0.193222
C -1.914387 0.595795 1.723385
C -3.457585 0.697355 1.938072
C -4.523256 -0.387805 -0.127960
C -3.705797 -1.201514 -1.190096
C -3.719184 -0.595115 -2.578009
C -4.103799 -2.663365 -1.187322
C -5.982278 1.302711 -1.204600
C 0.807785 -0.800814 1.355218
C 2.261867 -0.663443 1.712488
C 3.013077 0.224905 0.761015
C 2.847408 0.082485 -0.626714
C 3.907580 1.181126 1.270298
C 3.570021 0.886873 -1.504596
C 4.636719 1.989423 0.399447
C 4.464507 1.836676 -0.985056
H -1.763530 1.330397 -0.426190
H -1.355984 1.513147 2.019847
H -3.795133 1.648839 2.384012
H -3.918202 -0.130225 2.498650
H -4.903585 -1.084388 0.678763
H -4.707175 -0.691902 -3.051692
H -3.462667 0.472627 -2.573780
H -3.001184 -1.090327 -3.247428
H -5.160121 -2.781842 -1.475371
H -3.514750 -3.250520 -1.906466
H -3.979206 -3.143482 -0.208145
H -1.575244 -1.463430 1.969863
H 2.724206 -1.682574 1.709856
H 2.361034 -0.308636 2.767644
H 2.137945 -0.656041 -1.020237
H 4.037111 1.298583 2.346618
H 3.449441 0.787122 -2.589839
H 5.338931 2.739663 0.781220


%chk=000277808-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277808

0 1
S -1.763785 -0.629420 -0.614918
O 0.105574 0.043887 2.607393
O -7.536471 1.585419 -0.530150
O 1.108228 -1.851074 1.692706
O 5.212614 0.591762 -3.593546
O 5.156568 2.793426 -2.999798
N -3.929444 0.245186 0.832178
N -1.195595 -0.740860 2.580307
N -5.813664 -0.130005 -0.698128
N 4.928003 1.543309 -2.768232
C -2.484063 0.597152 0.668183
C -2.232514 0.206764 2.176112
C -3.661621 -0.430371 2.163993
C -4.493655 -0.569067 -0.272843
C -3.487261 -0.578121 -1.492182
C -3.586903 0.695195 -2.354375
C -3.658118 -1.853037 -2.334898
C -6.630140 0.773436 -0.570163
C 1.207255 -0.693682 2.159626
C 2.484585 0.122223 2.320646
C 3.111712 0.487684 0.976696
C 3.441215 -0.520006 0.031172
C 3.383691 1.844939 0.667945
C 4.036115 -0.181299 -1.198399
C 3.980180 2.202305 -0.557452
C 4.299312 1.178573 -1.474393
H -2.264253 1.626776 0.351027
H -2.166847 1.096779 2.819574
H -4.339298 -0.119320 2.973046
H -3.634882 -1.537394 2.095484
H -4.606353 -1.620214 0.067144
H -4.554797 0.719102 -2.887898
H -3.506135 1.614684 -1.749107
H -2.776393 0.704612 -3.101910
H -4.687240 -1.891162 -2.738451
H -2.957388 -1.859039 -3.187503
H -3.481751 -2.763806 -1.735839
H -1.038355 -1.491833 1.867956
H 3.188856 -0.504921 2.900697
H 2.269523 1.026464 2.910958
H 3.215129 -1.566625 0.259122
H 3.128035 2.627852 1.390363
H 4.296914 -0.940399 -1.940324
H 4.198117 3.242428 -0.813119


