%chk=000215724.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215724

0 1
S 0.664109 1.934246 -1.293113
O -2.449334 0.759831 0.917899
O 0.489282 -0.766080 -0.810000
O -2.607206 -0.338847 -1.051897
O 0.251338 -2.863967 0.138760
N -0.739675 -2.274600 -1.921301
C -0.783356 2.644370 -0.434550
C -2.053227 2.043685 -1.013850
C 1.549665 1.128380 -0.018861
C 1.401113 -0.264321 0.102179
C -2.371894 0.685178 -0.445282
C 2.451574 1.795944 0.807785
C 2.129469 -1.003117 1.039735
C 3.186932 1.071834 1.753096
C 3.024397 -0.315407 1.862860
C -2.738343 -0.458951 1.684643
C -1.458178 -0.896120 2.360044
C -0.009849 -2.087896 -0.751259
C -1.784089 -3.328920 -1.891812
H -0.758506 3.739709 -0.596521
H -0.720707 2.479032 0.659880
H -2.916499 2.720283 -0.814030
H -1.992027 1.958214 -2.124331
H 2.585101 2.875217 0.716220
H 1.999277 -2.085517 1.124420
H 3.891555 1.587833 2.401673
H 3.605628 -0.871225 2.600401
H -3.502496 -0.097599 2.396635
H -3.162961 -1.226899 1.013812
H -1.660189 -1.541226 3.223873
H -0.796017 -1.462760 1.686709
H -0.880183 -0.032621 2.718239
H -1.025224 -1.416065 -2.418947
H -2.748826 -2.947741 -1.510911
H -1.468199 -4.181434 -1.262886
H -1.927855 -3.700543 -2.921508


%chk=000215724-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215724

0 1
S 0.687308 1.962019 -1.446847
O -2.303274 0.788805 1.045615
O 0.113727 -0.868675 -0.404824
O -2.831606 -0.107071 -1.034773
O 1.123170 -2.930184 -1.074609
N -1.128823 -2.390634 -1.531967
C -0.724872 2.765057 -0.434472
C -2.124034 2.253984 -0.840634
C 1.616903 1.016074 -0.165655
C 1.296177 -0.330988 0.149131
C -2.447891 0.860446 -0.329368
C 2.742483 1.612805 0.450869
C 2.091409 -1.071010 1.054821
C 3.539419 0.882947 1.361184
C 3.212784 -0.460810 1.655728
C -2.559684 -0.540014 1.689502
C -2.333182 -0.352877 3.185445
C 0.123719 -2.176033 -1.034821
C -1.464468 -3.619134 -2.256865
H -0.647304 3.846263 -0.635453
H -0.520854 2.576782 0.630288
H -2.879486 2.948425 -0.419039
H -2.241712 2.247178 -1.936215
H 2.991129 2.648037 0.196318
H 1.839779 -2.113889 1.262053
H 4.410079 1.356590 1.826667
H 3.831606 -1.038233 2.351207
H -3.594867 -0.843565 1.449033
H -1.860085 -1.266933 1.242157
H -2.510146 -1.309108 3.710739
H -1.296946 -0.033148 3.388224
H -3.021476 0.403213 3.600480
H -1.821733 -1.630329 -1.443179
H -2.325018 -4.130379 -1.787762
H -0.592963 -4.292392 -2.233565
H -1.714667 -3.401316 -3.311612


