%chk=000179352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179352

0 1
S -1.102260 -0.591302 1.612411
S -1.288882 -0.818435 -1.885455
P -1.928768 -0.079910 -0.252930
O -3.461642 -0.450733 0.242285
O -1.852027 1.558560 -0.390652
C -4.450195 -0.734285 -0.802523
C -2.290327 2.433263 0.681848
C -5.714937 -0.990415 -0.005002
C -3.802304 2.482773 0.786010
C 3.003929 -0.385286 0.398102
C 3.313018 -0.363745 -0.975420
C 4.033823 -0.349171 1.356218
C 4.647696 -0.305036 -1.380550
C 5.364304 -0.291592 0.936382
C 5.672234 -0.269075 -0.428294
C 0.483145 -0.490963 1.133416
C 1.647193 -0.444449 0.805367
H -4.543607 0.141790 -1.470383
H -4.130157 -1.628848 -1.372704
H -1.803080 2.159811 1.635595
H -1.868007 3.397105 0.322117
H -6.518808 -1.374440 -0.643817
H -5.531504 -1.730356 0.788979
H -6.075443 -0.080949 0.491229
H -4.126418 3.305531 1.434493
H -4.264623 2.636838 -0.198490
H -4.226835 1.553998 1.197775
H 2.508840 -0.393880 -1.713567
H 3.790915 -0.367322 2.417671
H 4.890142 -0.288054 -2.442705
H 6.164389 -0.264359 1.674922
H 6.711697 -0.223964 -0.750128


%chk=000179352-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179352

0 1
S -1.113149 -1.107232 1.199841
S -1.827562 -0.593029 -2.608043
P -2.203902 -0.034849 -0.667229
O -3.779589 -0.366324 0.008701
O -1.935668 1.661696 -0.436219
C -4.905522 -0.754458 -0.897500
C -2.121210 2.314079 0.898255
C -6.050858 -1.179450 0.016108
C -3.553843 2.819795 1.077082
C 3.137609 -0.470090 0.300064
C 3.693806 -0.956164 -0.921561
C 3.988566 0.204433 1.226436
C 5.060689 -0.765076 -1.206148
C 5.357338 0.378214 0.939561
C 5.898209 -0.101801 -0.277338
C 0.540723 -0.825907 0.829740
C 1.747606 -0.655401 0.586078
H -5.175482 0.116323 -1.524215
H -4.569152 -1.576783 -1.555981
H -1.829669 1.604819 1.697067
H -1.391455 3.140416 0.867958
H -6.921063 -1.479269 -0.596964
H -5.752637 -2.035622 0.644158
H -6.358354 -0.349891 0.675266
H -3.625422 3.399554 2.016957
H -3.839675 3.482550 0.242344
H -4.264461 1.978186 1.127813
H 3.042007 -1.472242 -1.633913
H 3.563781 0.580432 2.163076
H 5.475604 -1.135867 -2.149746
H 6.002744 0.891964 1.660431
H 6.961492 0.040092 -0.499874


