%chk=000237427.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237427

0 1
S -2.749200 1.724367 -0.309824
O 5.388996 0.974708 1.336113
O 6.429482 -1.040322 0.946288
O 4.080401 -0.473948 -1.303246
O 3.641913 -3.111837 -2.295158
O -9.177513 -1.190054 -0.874867
O -9.139180 -0.874687 1.264422
N 2.196174 0.447208 -0.233056
N 0.032968 -0.330074 -0.071395
N 1.680034 2.872048 -0.612033
N -0.722411 3.317884 -0.615661
N -8.599597 -0.943296 0.171575
C 4.335056 0.063405 1.034791
C 5.034707 -1.297639 0.760670
C 3.671141 0.473603 -0.310357
C 4.740574 -1.635059 -0.714054
C 6.681205 0.397302 0.963167
C 3.825764 -2.850257 -0.906696
C 7.643356 0.680494 2.091450
C 7.090349 0.880202 -0.410199
C 1.356052 1.560801 -0.399469
C 1.323741 -0.673939 -0.053276
C 0.000084 1.060499 -0.283710
C -1.029260 2.017855 -0.404871
C 0.601475 3.691431 -0.710641
C -2.914167 -0.068503 -0.057696
C -4.387891 -0.288168 0.000426
C -5.105333 -0.571801 -1.175820
C -5.063230 -0.214524 1.232286
C -6.481252 -0.784928 -1.125407
C -6.438918 -0.426021 1.293004
C -7.141222 -0.713365 0.111724
H 3.655819 0.100289 1.907736
H 4.799974 -2.110426 1.473240
H 4.009621 1.477901 -0.685596
H 5.674349 -1.733099 -1.318857
H 2.833473 -2.707794 -0.427949
H 4.292627 -3.783027 -0.529873
H 8.637564 0.261565 1.888446
H 7.751429 1.760688 2.260578
H 7.289079 0.238070 3.034590
H 8.039528 0.427787 -0.726559
H 6.343899 0.630155 -1.178116
H 7.216627 1.971247 -0.427431
H 1.718614 -1.683239 0.061146
H 3.317196 -2.295819 -2.750234
H 0.792909 4.764836 -0.884419
H -2.390273 -0.394425 0.866841
H -2.422760 -0.636828 -0.877204
H -4.585969 -0.621009 -2.134481
H -4.511196 0.014074 2.145453
H -7.051806 -1.006144 -2.034645
H -6.977000 -0.370786 2.246151


%chk=000237427-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237427

0 1
S -2.780902 1.736088 -0.797404
O 5.420954 0.770466 1.657632
O 6.433541 -1.243313 0.991764
O 4.226242 -0.083201 -1.312428
O 3.559868 -2.383129 -2.826739
O -9.262406 -1.663891 -0.603164
O -9.276589 -0.739279 1.482155
N 2.200390 0.544763 -0.097851
N 0.036636 -0.173338 0.201091
N 1.765205 2.729259 -1.165940
N -0.625595 3.172695 -1.437274
N -8.676222 -1.088181 0.393197
C 4.339591 -0.050209 1.114512
C 5.023569 -1.369546 0.606502
C 3.673342 0.596794 -0.131196
C 4.791416 -1.417733 -0.922304
C 6.734473 0.195699 1.225038
C 3.835861 -2.523746 -1.401979
C 7.699787 0.291401 2.400222
C 7.229373 0.885937 -0.054779
C 1.375321 1.552869 -0.616752
C 1.335098 -0.458742 0.373948
C 0.030525 1.094526 -0.425093
C -0.986139 1.980451 -0.876352
C 0.698156 3.491409 -1.553000
C -2.986773 -0.022780 -0.038749
C -4.465508 -0.296579 0.071113
C -5.164737 -0.922869 -0.995255
C -5.181058 0.072848 1.241727
C -6.544309 -1.186409 -0.900089
C -6.560571 -0.181669 1.357233
C -7.222298 -0.810944 0.280161
H 3.616834 -0.202229 1.932886
H 4.649408 -2.276663 1.111297
H 3.937167 1.662901 -0.225291
H 5.751274 -1.502692 -1.458942
H 2.893750 -2.519330 -0.810397
H 4.316985 -3.510155 -1.283715
H 8.664257 -0.173650 2.135299
H 7.875758 1.349004 2.658631
H 7.277880 -0.227950 3.274876
H 8.166870 0.412585 -0.394310
H 6.484535 0.824409 -0.866184
H 7.429065 1.951051 0.154185
H 1.696487 -1.369946 0.845122
H 3.323214 -1.432348 -2.992241
H 0.924107 4.460584 -2.004797
H -2.477350 -0.021278 0.934401
H -2.471475 -0.726637 -0.707213
H -4.621254 -1.204515 -1.903691
H -4.649912 0.562945 2.064916
H -7.098533 -1.670375 -1.708289
H -7.127307 0.092045 2.250810


