%chk=000229588.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229588

0 1
S 2.856991 -0.668537 -0.459982
O 3.885473 0.571294 0.038879
O 2.724057 -1.571183 0.654213
O 3.381909 -1.161219 -1.707263
C -2.351615 -0.324675 -0.058537
C -1.079215 0.447635 -0.432320
C -3.597142 0.565693 -0.162945
C 0.163804 -0.447379 -0.323218
C -4.869328 -0.206864 0.210366
C 1.434237 0.315598 -0.702954
C -6.117131 0.681602 0.107381
C -7.386086 -0.082839 0.477688
C 5.263970 0.218721 0.306494
C 5.936114 1.522554 0.695194
H -2.465553 -1.208272 -0.716462
H -2.261963 -0.725983 0.970071
H -1.170293 0.847368 -1.460899
H -0.969251 1.330884 0.226561
H -3.689303 0.966774 -1.190782
H -3.486518 1.448031 0.496682
H 0.038469 -1.335661 -0.977029
H 0.249566 -0.843299 0.713520
H -4.983067 -1.089720 -0.447812
H -4.780066 -0.609232 1.237884
H 1.498990 1.259756 -0.114143
H 1.362808 0.670480 -1.754957
H -6.006797 1.563928 0.767817
H -6.209867 1.083075 -0.920751
H -7.343595 -0.463083 1.504736
H -8.271224 0.558685 0.402227
H -7.547208 -0.942550 -0.182711
H 5.695579 -0.217795 -0.614893
H 5.276262 -0.521344 1.129589
H 6.995459 1.371487 0.930747
H 5.867273 2.260810 -0.115096
H 5.450862 1.971459 1.572507


%chk=000229588-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229588

0 1
S 2.932006 -0.774480 0.051950
O 4.130948 0.641461 0.327986
O 2.821699 -1.707052 1.371655
O 3.267644 -1.465164 -1.379027
C -2.457384 -0.324821 0.006681
C -1.137089 0.478385 -0.044545
C -3.711864 0.577063 -0.020993
C 0.107269 -0.446457 -0.002655
C -5.034689 -0.221202 0.018844
C 1.390747 0.378563 -0.074000
C -6.290836 0.679585 -0.006306
C -7.608461 -0.124406 0.031426
C 5.545009 0.281497 0.041145
C 6.305570 1.610606 0.025009
H -2.491771 -1.028421 -0.850450
H -2.472351 -0.948486 0.924073
H -1.117313 1.092443 -0.968055
H -1.103875 1.186013 0.808988
H -3.692465 1.206713 -0.935137
H -3.681089 1.276920 0.840177
H 0.066324 -1.158856 -0.848922
H 0.096340 -1.040644 0.930747
H -5.069036 -0.919721 -0.843257
H -5.056342 -0.852958 0.931378
H 1.532533 1.063927 0.776933
H 1.554436 0.896010 -1.032201
H -6.256506 1.376513 0.855952
H -6.267466 1.311504 -0.917696
H -7.670706 -0.740419 0.948385
H -8.490622 0.541587 0.011414
H -7.680866 -0.807487 -0.835951
H 5.603238 -0.232011 -0.937986
H 5.923223 -0.390974 0.834269
H 7.378035 1.418510 -0.164722
H 5.921962 2.273144 -0.769218
H 6.210348 2.129314 0.993909


