%chk=000197115.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197115

0 1
S -3.847474 -0.339730 1.672145
O -6.816347 -0.663077 -1.025007
O -9.393984 1.031047 -1.513317
C 7.586502 0.199643 -0.492463
C 6.342549 -0.188269 0.351464
C 5.004339 0.221643 -0.274704
C 3.822575 -0.193213 0.613369
C 2.481828 0.216013 -0.011309
C 8.846120 -0.276276 0.263924
C 7.542285 -0.486496 -1.870530
C 7.661814 1.726750 -0.677009
C 1.300533 -0.198643 0.876301
C -0.039908 0.210626 0.251471
C -1.220176 -0.206643 1.143110
C -2.546051 0.203338 0.514132
C -5.376142 0.073368 0.792296
C -5.715468 -1.048335 -0.178259
C -8.123447 -0.731203 -0.404656
C -9.081662 -0.366304 -1.541532
H 6.433462 0.268326 1.355630
H 6.349741 -1.282239 0.519544
H 4.984146 1.316424 -0.439193
H 4.900141 -0.237417 -1.276901
H 3.842577 -1.287526 0.779176
H 3.926462 0.264686 1.615860
H 2.379133 -0.242212 -1.013869
H 2.463046 1.310541 -0.176668
H 8.925036 0.192426 1.249353
H 9.757995 -0.027861 -0.288102
H 8.841161 -1.360237 0.412136
H 6.684179 -0.148517 -2.460151
H 8.443438 -0.270032 -2.452555
H 7.466197 -1.573834 -1.773624
H 6.805903 2.105447 -1.244669
H 8.567037 2.018577 -1.218389
H 7.672470 2.245935 0.286233
H 1.404965 0.259424 1.879053
H 1.321128 -1.293269 1.042211
H -0.059040 1.305450 0.087307
H -0.142747 -0.248078 -0.750935
H -1.107497 0.252852 2.147327
H -1.191072 -1.303657 1.309367
H -2.604316 1.297119 0.367402
H -2.689445 -0.268339 -0.474266
H -5.300120 1.043048 0.265942
H -6.164635 0.205610 1.559402
H -4.919093 -1.216711 -0.930883
H -5.941864 -1.999820 0.333784
H -8.293308 -1.751058 -0.021239
H -8.177467 -0.003531 0.423606
H -8.647836 -0.629689 -2.525883
H -10.071423 -0.844901 -1.420273
H -8.583840 1.556624 -1.688564


%chk=000197115-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197115

0 1
S -3.989806 -0.371735 1.888010
O -6.954880 -0.643664 -1.056857
O -8.995042 0.956890 -2.172133
C 7.686049 0.220137 -0.545689
C 6.414620 -0.194384 0.262395
C 5.048774 0.260984 -0.300481
C 3.864463 -0.202681 0.579166
C 2.487703 0.239353 0.034035
C 8.929947 -0.333247 0.201818
C 7.649956 -0.382250 -1.975864
C 7.802131 1.765427 -0.637521
C 1.305668 -0.221466 0.916241
C -0.072256 0.211920 0.365956
C -1.245570 -0.245946 1.265471
C -2.611852 0.168061 0.694247
C -5.503166 0.098271 0.851405
C -5.860312 -1.016923 -0.146564
C -8.294900 -0.656421 -0.440638
C -9.266294 -0.357820 -1.583994
H 6.518984 0.199029 1.296441
H 6.407813 -1.301856 0.352401
H 5.022423 1.366125 -0.382811
H 4.908920 -0.136147 -1.326098
H 3.885283 -1.309312 0.668094
H 3.995823 0.193080 1.608281
H 2.355751 -0.159396 -0.993749
H 2.468179 1.345656 -0.057193
H 8.994922 0.081965 1.225831
H 9.862939 -0.069887 -0.331723
H 8.885454 -1.436076 0.285238
H 6.811521 0.026030 -2.569063
H 8.586519 -0.153458 -2.519151
H 7.539241 -1.483046 -1.939498
H 6.967885 2.203735 -1.215303
H 8.745055 2.055436 -1.139047
H 7.798940 2.225080 0.369539
H 1.434774 0.183507 1.941637
H 1.329805 -1.326944 1.013077
H -0.094684 1.316678 0.262291
H -0.205118 -0.201885 -0.655449
H -1.121614 0.186418 2.278540
H -1.214689 -1.347290 1.382778
H -2.680135 1.264428 0.576638
H -2.790294 -0.312187 -0.284423
H -5.286681 1.044365 0.326249
H -6.312558 0.279893 1.578120
H -5.004569 -1.225840 -0.811145
H -6.115289 -1.949872 0.399133
H -8.500640 -1.650572 0.013406
H -8.372922 0.127070 0.340772
H -9.188741 -1.159034 -2.348558
H -10.302981 -0.314408 -1.209667
H -8.022155 0.982011 -2.367995


