%chk=000292594.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292594

0 1
S 4.941166 0.333174 0.354232
O -2.568854 -0.934257 -1.425518
O -1.995629 0.432709 1.846495
O -4.810710 1.348702 1.078035
O -6.010558 -1.119100 -0.140053
O 5.677503 1.152570 -0.591125
O 5.102157 0.520124 1.784584
N -0.805419 0.403151 -1.053161
N 5.460381 -1.283336 0.050711
C -2.666925 0.562615 0.581679
C -4.131186 0.118284 0.785051
C -1.817985 -0.377111 -0.320174
C -4.755281 -0.529723 -0.468881
C -3.803619 -1.572188 -1.073886
C 0.558070 0.325517 -0.713603
C 1.524607 0.655095 -1.696054
C 0.963599 0.017719 0.606265
C 3.278686 0.335678 -0.049655
C 2.870553 0.660451 -1.351235
C 2.315970 0.026778 0.922683
H -2.635876 1.624088 0.238090
H -4.216336 -0.546663 1.675806
H -1.387289 -1.211109 0.290092
H -5.041676 0.250423 -1.217687
H -3.613163 -2.424558 -0.400332
H -4.163026 -1.948088 -2.053004
H -1.048063 0.565708 -2.037273
H -2.213263 1.201412 2.422138
H -5.785180 1.200020 1.100608
H -5.908890 -1.867075 0.486082
H 1.221274 0.907402 -2.708536
H 0.219052 -0.181490 1.380576
H 3.620773 0.926166 -2.106642
H 2.631855 -0.197966 1.949130
H 5.745639 -1.847874 0.847340
H 6.114441 -1.436847 -0.712977


%chk=000292594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292594

0 1
S 5.064950 0.187886 0.433508
O -2.677142 -0.768418 -1.592108
O -1.993523 1.156429 1.521252
O -4.863354 1.019424 1.539231
O -6.041431 -1.271371 0.094431
O 5.901323 1.096978 -0.633000
O 5.173061 0.372829 2.050945
N -0.779767 0.463363 -1.132356
N 5.563960 -1.561543 0.099866
C -2.787701 0.747746 0.364369
C -4.063975 0.024025 0.822681
C -1.884534 -0.194060 -0.473419
C -4.822126 -0.580377 -0.368470
C -3.871487 -1.507264 -1.152645
C 0.560606 0.391294 -0.746952
C 1.576000 0.689096 -1.706717
C 0.938452 0.065849 0.591222
C 3.266092 0.259514 -0.039658
C 2.934358 0.627475 -1.356042
C 2.298030 -0.014177 0.941649
H -3.079181 1.622224 -0.254491
H -3.774553 -0.801790 1.517158
H -1.503274 -1.000905 0.189813
H -5.202826 0.222559 -1.021487
H -3.572243 -2.375889 -0.520736
H -4.344685 -1.878289 -2.074538
H -0.997165 0.803611 -2.071246
H -2.572564 1.710549 2.105537
H -5.772279 0.645338 1.676523
H -5.784196 -2.099303 0.579026
H 1.292758 0.958429 -2.730945
H 0.169620 -0.048870 1.359545
H 3.720973 0.869798 -2.077457
H 2.603626 -0.236079 1.969153
H 5.884659 -1.966155 0.995934
H 6.306336 -1.539525 -0.619774


