%chk=000206536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206536

0 1
S 6.294702 -0.132496 -0.295548
O 0.022368 1.525667 1.498091
O -0.069548 -2.060957 -1.409915
O 6.849041 0.066590 1.029028
O 6.761079 -1.209496 -1.146262
N 0.342314 -0.251920 0.018384
N 6.636378 1.316989 -1.159913
C -1.952118 0.308023 0.630693
C -1.954818 -0.912443 -0.345286
C -2.617812 -2.205703 0.149822
C -0.450471 0.660360 0.809869
C -0.491895 -1.201575 -0.682425
C -2.732584 1.463573 0.018977
C -2.475268 0.018372 2.038774
C -4.139876 -2.187997 -0.031869
C 1.782637 -0.227153 -0.054219
C -4.805320 -3.364579 0.694217
C -2.135406 2.690146 -0.297938
C -4.105085 1.287492 -0.227767
C 2.441855 -0.843927 -1.135507
C 2.527715 0.410820 0.956573
C -2.897320 3.719279 -0.862963
C -4.862513 2.315022 -0.790115
C -6.318758 -3.363945 0.495777
C -4.258938 3.535758 -1.112669
C 3.833587 -0.813175 -1.198979
C 3.918592 0.433766 0.873612
C 4.577235 -0.171124 -0.202569
H -2.452809 -0.609980 -1.307438
H -2.352840 -2.400332 1.207299
H -2.197235 -3.067363 -0.418005
H -2.397088 0.915534 2.673423
H -3.532980 -0.275691 2.028741
H -1.917358 -0.784583 2.535942
H -4.562813 -1.226780 0.339023
H -4.390395 -2.225029 -1.110838
H -4.570561 -3.325486 1.776180
H -4.381755 -4.321434 0.328231
H -1.078157 2.873539 -0.097341
H -4.585834 0.335072 0.025410
H 1.878084 -1.360560 -1.918516
H 2.030253 0.897263 1.801285
H -2.421127 4.669380 -1.105045
H -5.925384 2.167468 -0.976926
H -6.589226 -3.443416 -0.563709
H -6.780899 -2.449991 0.885279
H -6.784958 -4.210821 1.013553
H -4.848840 4.338055 -1.552671
H 4.344856 -1.306134 -2.035297
H 4.496463 0.922115 1.668052
H 7.096222 2.074995 -0.661092
H 7.043307 1.235912 -2.088715


%chk=000206536-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206536

0 1
S 6.275131 -0.174462 -0.483311
O -0.051879 1.372825 1.734401
O -0.264153 -1.943815 -1.583441
O 6.890933 -0.480158 0.993301
O 6.666582 -1.022589 -1.817289
N 0.199510 -0.241293 0.012638
N 6.666877 1.587075 -0.857584
C -2.063793 0.382488 0.632003
C -2.102929 -0.907834 -0.272569
C -2.640129 -2.241579 0.329548
C -0.554482 0.591827 0.893472
C -0.656531 -1.115888 -0.730940
C -2.646219 1.605063 -0.133522
C -2.775532 0.294088 2.011806
C -4.180919 -2.360698 0.323991
C 1.635056 -0.220182 -0.101249
C -4.666989 -3.722087 0.872335
C -1.968361 2.843513 -0.251981
C -3.949443 1.491307 -0.688776
C 2.238029 -0.444344 -1.365972
C 2.432476 0.010853 1.049455
C -2.570837 3.931638 -0.926141
C -4.553475 2.578290 -1.354614
C -6.204110 -3.862784 0.844486
C -3.862909 3.805950 -1.480828
C 3.642077 -0.426060 -1.485846
C 3.837001 0.036558 0.933914
C 4.400047 -0.178299 -0.332212
H -2.690704 -0.708371 -1.187203
H -2.249651 -2.388138 1.355308
H -2.225201 -3.064185 -0.285385
H -2.509442 1.185162 2.604905
H -3.869735 0.278220 1.886604
H -2.469342 -0.600332 2.581735
H -4.639898 -1.549147 0.921806
H -4.548357 -2.235742 -0.716412
H -4.301041 -3.848949 1.911489
H -4.207781 -4.538357 0.278854
H -0.976558 2.975870 0.191252
H -4.504087 0.549219 -0.597740
H 1.619200 -0.646736 -2.241373
H 1.962729 0.181151 2.019061
H -2.027223 4.879074 -1.011867
H -5.559937 2.467319 -1.773472
H -6.592196 -3.772214 -0.187475
H -6.687093 -3.076833 1.455367
H -6.526046 -4.842783 1.240911
H -4.327185 4.650979 -2.000804
H 4.132833 -0.619976 -2.444432
H 4.475741 0.190664 1.808872
H 7.254090 1.952734 -0.089448
H 7.134556 1.619069 -1.778931


