%chk=000245184.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245184

0 1
S 1.010994 -1.647389 -1.569704
O 3.961354 1.285974 -0.506538
O 2.588251 0.528570 1.125967
O -3.690570 1.280879 2.159392
O -4.805652 0.878838 0.350878
N -3.786369 0.845469 1.022777
C 2.328724 -1.970379 -0.360162
C 3.476873 -1.001418 -0.574791
C -0.335969 -0.912185 -0.717245
C -0.258705 -0.391636 0.575265
C -1.529977 -0.863129 -1.455483
C -2.586551 0.235611 0.417942
C -1.390747 0.186858 1.151255
C -2.661336 -0.285094 -0.886673
C 3.246860 0.305808 0.135949
C 3.875321 2.630262 0.042706
H 1.950205 -1.931084 0.683847
H 2.659219 -3.017228 -0.531016
H 4.431093 -1.439022 -0.195920
H 3.669838 -0.817649 -1.659239
H 0.680897 -0.403958 1.144071
H -1.582930 -1.274009 -2.466217
H -1.352693 0.604956 2.163963
H -3.606667 -0.232559 -1.438372
H 4.635458 3.170542 -0.531833
H 4.101925 2.615018 1.113667
H 2.869855 3.023655 -0.137184


%chk=000245184-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245184

0 1
S 1.015474 -1.142588 -1.774009
O 4.495891 1.191319 -0.444931
O 2.644344 0.799302 0.906080
O -4.029134 0.990497 2.308843
O -5.233500 0.209092 0.533858
N -4.114444 0.441335 1.140631
C 2.229039 -1.764441 -0.439650
C 3.567518 -1.017239 -0.499037
C -0.482840 -0.680399 -0.825173
C -0.430196 -0.046582 0.443506
C -1.733954 -0.927175 -1.451250
C -2.861302 0.057524 0.459228
C -1.624636 0.313881 1.094011
C -2.930269 -0.552400 -0.814012
C 3.481953 0.393156 0.065487
C 4.547726 2.586003 0.066948
H 1.741376 -1.644212 0.539710
H 2.371724 -2.837235 -0.644151
H 4.314781 -1.569406 0.108186
H 3.972923 -0.974076 -1.524110
H 0.534723 0.197695 0.900607
H -1.766434 -1.424928 -2.425570
H -1.612917 0.805971 2.070026
H -3.905829 -0.735617 -1.271544
H 5.426683 3.028803 -0.420579
H 4.654861 2.585310 1.164302
H 3.625142 3.122113 -0.210104


