%chk=000186642.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186642

0 1
S 6.159268 1.059471 0.234949
O 4.768984 0.770973 1.111373
O 6.650951 -0.504683 -0.019001
O 5.753562 1.632523 -1.017864
O 7.126309 1.655227 1.090370
C -2.541518 -0.229118 0.352522
C -3.869876 0.372864 -0.125357
C -1.382333 0.761140 0.176768
C -5.029471 -0.616860 0.050863
C -0.054053 0.158172 0.653443
C -6.357929 -0.015183 -0.427174
C 1.104164 1.149897 0.479270
C -7.517379 -1.004698 -0.250717
C 2.428650 0.543247 0.950378
C -8.847038 -0.404070 -0.728480
C 3.579337 1.538546 0.801524
C -10.004747 -1.384710 -0.554948
C 5.965123 -1.288642 -1.023175
C 4.731101 -1.936641 -0.429302
H -2.329190 -1.161359 -0.205622
H -2.624967 -0.526911 1.415667
H -4.083412 1.305064 0.432491
H -3.787956 0.670450 -1.188586
H -1.301519 1.060129 -0.886280
H -1.596287 1.692587 0.735974
H -5.112670 -0.914206 1.114056
H -4.817042 -1.549341 -0.506786
H -0.137412 -0.141635 1.716374
H 0.158272 -0.773111 0.093561
H -6.275557 0.281997 -1.490435
H -6.571048 0.917194 0.130426
H 1.180977 1.453820 -0.583546
H 0.890017 2.078225 1.044974
H -7.601545 -1.302759 0.812000
H -7.306301 -1.937641 -0.807768
H 2.672115 -0.379200 0.372269
H 2.357073 0.211535 2.005791
H -8.765231 -0.107409 -1.792473
H -9.060778 0.528492 -0.170401
H 3.637798 1.964465 -0.219086
H 3.539318 2.350063 1.551304
H -10.138061 -1.670279 0.494679
H -10.948945 -0.947371 -0.898189
H -9.842936 -2.305642 -1.126527
H 6.743820 -2.035626 -1.285309
H 5.743632 -0.659594 -1.906590
H 4.975550 -2.472601 0.499751
H 3.951567 -1.198907 -0.163301
H 4.284312 -2.658091 -1.122961


%chk=000186642-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186642

0 1
S 6.210651 1.128294 -0.760756
O 4.599221 0.244733 -0.969902
O 6.669528 0.691355 0.985077
O 7.219652 0.409213 -1.782799
O 5.963093 2.713850 -0.737572
C -2.904261 -0.320719 -0.428561
C -4.217416 0.276332 0.125417
C -1.652241 0.501804 -0.048832
C -5.471157 -0.543659 -0.253821
C -0.338847 -0.098616 -0.598846
C -6.783710 0.051503 0.303989
C 0.908722 0.730428 -0.217820
C -8.038328 -0.767315 -0.075067
C 2.218059 0.111630 -0.767946
C -9.350436 -0.173149 0.486047
C 3.435539 0.963833 -0.381444
C -10.598513 -0.997904 0.103511
C 7.484892 -0.552004 1.098957
C 6.650185 -1.829135 0.985337
H -2.973040 -0.394461 -1.534142
H -2.787935 -1.359608 -0.054647
H -4.148923 0.349361 1.231205
H -4.333513 1.315683 -0.247339
H -1.768034 1.539429 -0.425932
H -1.586400 0.578258 1.056738
H -5.354471 -1.583891 0.116483
H -5.541982 -0.614369 -1.359584
H -0.221780 -1.134923 -0.219285
H -0.404746 -0.176014 -1.703847
H -6.900442 1.092005 -0.065633
H -6.713130 0.121628 1.409913
H 0.793820 1.763737 -0.604734
H 0.970281 0.812165 0.886957
H -7.922644 -1.808584 0.292818
H -8.112181 -0.835839 -1.180846
H 2.166320 0.033057 -1.869958
H 2.348035 -0.912217 -0.369663
H -9.465775 0.866886 0.117761
H -9.275414 -0.104413 1.590725
H 3.370690 1.981783 -0.808341
H 3.552003 1.026355 0.717522
H -10.521180 -2.033546 0.485505
H -11.522167 -0.553103 0.517637
H -10.714031 -1.054861 -0.995506
H 7.917390 -0.425234 2.109302
H 8.303162 -0.524839 0.354999
H 5.813072 -1.817399 1.704237
H 6.239675 -1.950209 -0.031795
H 7.285410 -2.707525 1.205378


