%chk=000106264.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000106264

0 1
S 2.636676 4.362018 0.546706
S -5.088205 0.718002 -0.128654
O 2.843643 -2.283415 1.597829
O 6.353320 0.650573 -1.057084
O 1.676163 4.432139 -0.833640
O 1.764936 4.807798 1.598234
O 3.836150 5.106240 0.223265
O -4.165956 -0.619403 0.426133
O -4.427127 1.178194 -1.323764
O -5.249649 1.589872 1.000484
N 1.163040 -0.226451 2.047338
N 5.135365 2.879340 -0.445916
C 3.279309 -0.120179 0.700935
C 4.263231 0.660099 0.062821
C 2.152955 0.478931 1.286368
C 4.144980 2.095027 0.061206
C 2.959861 2.686740 0.614443
C 4.385374 -2.247586 -0.188696
C 5.337001 -1.459204 -0.855601
C 3.445653 -1.617741 0.776804
C 5.395388 0.017981 -0.630614
C 2.005985 1.887756 1.222500
C 4.337219 -3.628301 -0.408137
C 6.240823 -2.057082 -1.739368
C -0.176797 -0.318508 1.543414
C 5.236712 -4.221333 -1.303732
C 6.185434 -3.439018 -1.965221
C -1.109630 -1.011390 2.350940
C -0.594134 0.289719 0.345690
C -2.843232 -0.446449 0.778249
C -2.445283 -1.071751 1.973134
C -1.933306 0.228962 -0.042188
C -6.529227 -0.126866 -0.488125
C -7.532120 -0.249256 0.483410
C -6.710469 -0.702055 -1.753242
C -8.893318 -1.516877 -1.075020
C -8.707928 -0.938647 0.194093
C -7.884536 -1.392516 -2.047663
C -10.143140 -2.269137 -1.381626
H 1.109899 2.335398 1.688253
H 1.512143 -1.107057 2.468285
H 3.599717 -4.234419 0.126037
H 6.987846 -1.437001 -2.245289
H 5.093983 3.909726 -0.443601
H 5.990481 2.462817 -0.838716
H 5.195553 -5.297156 -1.478779
H 6.889172 -3.901762 -2.658603
H -0.785747 -1.486509 3.276357
H 0.117067 0.801829 -0.300190
H -3.184169 -1.593413 2.579065
H -2.260461 0.699819 -0.975639
H 0.992936 5.120949 -0.851144
H -7.395763 0.203883 1.472980
H -5.930268 -0.604282 -2.517577
H -9.483342 -1.030221 0.953164
H -8.019283 -1.837365 -3.032386
H -10.029351 -3.334145 -1.121154
H -11.011046 -1.894793 -0.820038
H -10.411329 -2.228524 -2.447034


%chk=000106264-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106264

0 1
S 2.174927 4.078282 -0.317107
S -5.554518 0.418278 0.983889
O 2.995579 -2.695955 0.648743
O 6.877123 1.054636 -0.530909
O 1.866254 3.980399 -2.146034
O 0.763794 4.261256 0.443008
O 3.379073 5.142677 -0.064661
O -4.446097 -0.987452 -0.135791
O -5.174991 1.910328 0.440666
O -5.469767 0.072206 2.576925
N 1.138366 -0.955502 0.452602
N 5.125754 2.947327 -0.565670
C 3.505953 -0.387590 0.114635
C 4.524311 0.597261 -0.149066
C 2.117385 -0.001651 0.205421
C 4.182882 1.997086 -0.313703
C 2.786880 2.312202 -0.153640
C 5.294761 -2.201881 0.183478
C 6.294315 -1.231598 -0.109062
C 3.880436 -1.801831 0.326651
C 5.940235 0.199505 -0.274293
C 1.790154 1.384874 0.089977
C 5.659001 -3.564195 0.346041
C 7.647930 -1.633997 -0.238624
C -0.258102 -0.872939 0.302280
C 7.003751 -3.955209 0.213369
C 8.001069 -2.987192 -0.080156
C -1.046049 -1.776173 1.082417
C -0.908907 -0.002992 -0.627258
C -3.093661 -0.922061 0.033249
C -2.439378 -1.790456 0.964109
C -2.304144 -0.021804 -0.750039
C -7.248949 -0.059575 0.344226
C -7.988263 -1.006474 1.071409
C -7.711794 0.548006 -0.834238
C -9.785260 -0.770914 -0.603706
C -9.268103 -1.350857 0.585565
C -8.994710 0.184112 -1.297377
C -11.148077 -1.176629 -1.132961
H 0.765543 1.731318 0.256508
H 1.568833 -1.884910 0.702085
H 4.870644 -4.287434 0.574002
H 8.395344 -0.867125 -0.461890
H 4.870502 3.942072 -0.566059
H 6.098812 2.597308 -0.646428
H 7.283048 -5.006867 0.336402
H 9.047082 -3.295092 -0.181844
H -0.543949 -2.442278 1.792989
H -0.322921 0.641049 -1.289102
H -3.053960 -2.461761 1.571670
H -2.814600 0.633342 -1.462730
H 1.509925 4.868122 -2.444640
H -7.586298 -1.437948 1.993414
H -7.101972 1.293173 -1.354261
H -9.872018 -2.079380 1.138417
H -9.385795 0.649492 -2.209296
H -11.060222 -2.042308 -1.817794
H -11.829573 -1.472491 -0.316810
H -11.624382 -0.357788 -1.699302


