%chk=000094123.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094123

0 1
 S    3.871000      0.7644000      -1.237100    
 S    3.580500      6.0500000E-02   1.704600    
 S   -3.464800       2.081700     -9.2699997E-02
 S   -3.861600      -1.548700      0.4195000    
 O   -2.980800     -0.7848000     -0.7262000    
 O    2.943200      0.9951000      -2.328400    
 O    4.731700       1.833200     -0.7671000    
 O    2.465900     -0.1552000       2.607500    
 O    4.482400       1.178900       1.905900    
 O   -3.994100       1.917500       1.444200    
 O   -4.358700       1.335900     -0.9628000    
 O   -3.222100       3.498800     -0.3117000    
 O   -3.118700      -2.683800      0.9293000    
 O   -4.475900     -0.5708000       1.295000    
 N    3.049600      3.1599998E-02  7.5900003E-02
 C    1.828300     -0.6620000     -0.2107000    
 C   0.5842000     -1.1200000E-02 -0.1817000    
 C  -0.5888000     -0.7468000     -0.4751000    
 C   -1.832900     -9.5899999E-02 -0.4460000    
 C   -1.919400       1.260800     -0.1322000    
 C   0.4783000       1.353700      0.1320000    
 C    1.914800      -2.018600     -0.5245000    
 C  -0.4830000      -2.111500     -0.7889000    
 C  -0.7659000       1.984200      0.1562000    
 C   0.7614000      -2.742000     -0.8131000    
 C    4.918300     -0.5841000      -1.732400    
 C    4.577000      -1.411700       1.727400    
 C   -5.120100      -2.169200     -0.6667000    
 H    1.352900       1.956000      0.3656000    
 H    2.870500      -2.532800     -0.5513000    
 H   -1.355300      -2.707100      -1.044600    
 H  -0.8075000       3.039200      0.4118000    
 H   0.8301000      -3.796800      -1.062700    
 H    5.456900     -0.2602000      -2.627500    
 H    5.644500     -0.7994000     -0.9525000    
 H    4.318400      -1.456900      -1.984600    
 H    5.432700      -1.296500       1.067200    
 H    4.942300      -1.536500       2.750700    
 H    3.973100      -2.279200       1.465600    
 H   -4.655600      -2.818900      -1.410800    
 H   -5.834400      -2.738600     -6.8300001E-02
 H   -5.623400      -1.327800      -1.146200    
 H   -3.420800       2.325500       2.135100    


%chk=000094123-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094123

0 1
S 3.854939 0.788610 -1.703266
S 3.653251 0.094402 1.551891
S -3.281803 2.142061 -0.352731
S -3.830128 -1.858554 0.745495
O -2.925938 -0.942433 -0.955977
O 3.283512 0.162428 -3.087931
O 3.482620 2.314943 -1.274920
O 2.450327 0.950677 2.236181
O 5.157928 0.707326 1.455890
O -4.273189 1.391725 1.003459
O -4.188999 1.947536 -1.667375
O -2.797012 3.615692 0.093626
O -3.653599 -3.471330 0.809231
O -3.302429 -0.958734 2.019187
N 3.296734 -0.625247 -0.309826
C 1.977161 -1.123870 -0.530448
C 0.746280 -0.350745 -0.487425
C -0.498883 -1.047144 -0.727406
C -1.758778 -0.313755 -0.684147
C -1.700057 1.068683 -0.383413
C 0.721494 1.055738 -0.224568
C 1.927753 -2.506661 -0.819023
C -0.508211 -2.446310 -1.000890
C -0.492498 1.760965 -0.183801
C 0.693058 -3.165429 -1.051152
C 5.740879 0.553110 -1.606479
C 3.745092 -1.592941 2.438211
C -5.620495 -1.395746 0.270710
H 1.645458 1.613335 -0.055555
H 2.874240 -3.053531 -0.871656
H -1.466034 -2.940593 -1.186312
H -0.512566 2.836750 0.017579
H 0.684936 -4.235903 -1.277418
H 6.155656 1.261375 -2.337878
H 6.000195 0.785392 -0.562774
H 5.922444 -0.495423 -1.876147
H 4.511262 -2.173432 1.909408
H 4.030015 -1.351540 3.472184
H 2.744690 -2.040828 2.374359
H -5.770786 -1.828574 -0.727460
H -6.263305 -1.847736 1.039752
H -5.626892 -0.295307 0.269542
H -3.704121 0.781017 1.586970


