%chk=000194875.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194875

0 1
S 0.050133 -4.358955 1.224434
O -1.402916 -1.331678 -0.802157
O 2.209972 -0.436575 -1.455155
O -0.005233 1.970800 -1.417713
O 0.518833 -0.519132 1.603475
O -3.156092 0.588817 0.637572
O 3.413716 1.460542 -1.180388
O 0.922251 2.073227 -3.481447
O 1.512605 -2.146406 2.817453
O -2.700753 -0.681794 2.461949
C 1.170851 0.056299 -0.561729
C 0.003239 0.516750 -1.450815
C 0.859093 -1.155008 0.336874
C -1.376807 0.088908 -0.906371
C -0.295996 -2.036477 -0.176190
C -1.737181 0.809464 0.398574
C -0.965898 -2.900314 0.882014
C 3.293291 0.392726 -1.727921
C 0.541427 2.657333 -2.498268
C 0.845188 -1.138568 2.799373
C 4.155033 -0.280699 -2.729816
C 0.534032 4.107094 -2.182234
C -3.512165 -0.240184 1.677286
C 0.226915 -0.369911 3.904423
C -4.986865 -0.431001 1.657289
H 1.563805 0.913230 0.047300
H 0.148596 0.160155 -2.502551
H 1.776709 -1.781615 0.484446
H -2.184760 0.254813 -1.665718
H 0.092116 -2.654016 -1.031466
H -1.146287 0.464841 1.272862
H -1.655657 1.907587 0.289026
H -1.228323 -2.325589 1.793813
H -1.943629 -3.265791 0.492133
H 0.962405 -3.833648 2.084981
H 4.014667 0.177846 -3.725618
H 5.220713 -0.180239 -2.469791
H 3.925128 -1.354231 -2.836086
H 1.547881 4.438372 -1.891152
H 0.235098 4.703221 -3.058989
H -0.138272 4.358538 -1.346348
H 0.512558 0.692905 3.890223
H 0.497695 -0.788757 4.885929
H -0.883163 -0.394893 3.818193
H -5.238594 -1.463973 1.363241
H -5.421816 -0.262549 2.654801
H -5.490344 0.242531 0.944458


%chk=000194875-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194875

0 1
S 0.520750 -4.631343 0.614827
O -1.603981 -1.267130 -0.432914
O 2.256273 -0.327447 -1.271829
O -0.023369 1.928229 -1.612278
O 0.352000 -0.671880 1.761122
O -3.290740 0.821630 0.712300
O 3.162204 1.815180 -1.040345
O 1.054779 1.574932 -3.658550
O 1.468054 -2.392871 2.877575
O -2.806718 -0.153312 2.784189
C 1.090094 0.055468 -0.425745
C -0.073642 0.465073 -1.358062
C 0.764920 -1.191675 0.428356
C -1.472565 0.167818 -0.771107
C -0.349947 -2.037848 -0.217255
C -1.847262 1.048148 0.435245
C -0.795781 -3.277535 0.567101
C 3.214811 0.671942 -1.542941
C 0.618449 2.363224 -2.793790
C 0.754737 -1.363724 2.916753
C 4.234728 0.159014 -2.526079
C 0.715689 3.866751 -2.802783
C -3.630106 0.149235 1.891814
C 0.204736 -0.682780 4.143246
C -5.113025 -0.146522 1.910265
H 1.376449 0.902531 0.223821
H 0.043668 -0.067342 -2.321214
H 1.674220 -1.809990 0.541629
H -2.223763 0.343405 -1.563189
H 0.049628 -2.366082 -1.202045
H -1.259777 0.800434 1.332197
H -1.750984 2.113148 0.170933
H -1.106009 -3.018724 1.590947
H -1.656599 -3.725629 0.047216
H 1.263891 -4.044552 1.632734
H 3.832535 0.307323 -3.545668
H 5.170269 0.729720 -2.430144
H 4.418256 -0.917400 -2.386727
H 1.586355 4.157529 -2.186019
H 0.872036 4.227665 -3.829862
H -0.181419 4.328069 -2.361054
H 0.671871 0.311297 4.263444
H 0.415357 -1.293556 5.032408
H -0.880600 -0.523173 4.019129
H -5.318817 -1.004425 1.244785
H -5.430942 -0.402255 2.931441
H -5.687517 0.713427 1.530319


