%chk=000081694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081694

0 1
 S   -2.733300       2.737100     -0.1291000    
 S   -3.822300      -2.531800      0.2279000    
 O   -2.393500       3.222100      -1.649800    
 O   -4.129200      -2.951400      -1.322200    
 O    4.207100       1.843800       1.030300    
 O   -4.178800       2.662600     -1.3000000E-02
 O   -1.946700       3.535700      0.7931000    
 O   -3.191500      -3.680300      0.8617000    
 O   -5.032500      -1.948500      0.7858000    
 N    3.367200     -0.1156000     -3.1000001E-03
 N    3.871900      -1.288200     -0.5080000    
 C  -0.7341000      0.8065000     -2.3399999E-02
 C  -0.3128000     -0.5419000      6.1200000E-02
 C   -2.107900       1.097800     -2.9100001E-02
 C    2.006000      0.1905000     -9.9999998E-03
 C    1.061100     -0.8331000      6.6699997E-02
 C   -2.638600      -1.251800      0.1306000    
 C   -1.277700      -1.559400      0.1375000    
 C   0.2309000       1.824100     -9.9900000E-02
 C   -3.052800      7.4299999E-02  4.7499999E-02
 C    1.591700       1.516500     -9.3099996E-02
 C    5.631700      1.1400000E-02  0.3135000    
 C    4.337700      0.7446000      0.5186000    
 C    5.154900      -1.242300     -0.3406000    
 C    6.091500      -2.322500     -0.7529000    
 H    1.384400      -1.870300      0.1392000    
 H  -0.9534000      -2.596600      0.1949000    
 H  -8.6000003E-03   2.872400     -0.2272000    
 H   -4.116000      0.2919000      3.0500000E-02
 H    2.287600       2.340400     -0.2142000    
 H    6.109300     -0.2097000       1.269600    
 H    6.292300      0.5677000     -0.3539000    
 H    6.808300      -1.924000      -1.475500    
 H    5.542400      -3.150500      -1.208700    
 H    6.631700      -2.687800      0.1242000    
 H   -2.817100       2.694700      -2.367300    
 H   -3.356900      -3.300800      -1.826400    


%chk=000081694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081694

0 1
S -2.951351 2.705126 0.082197
S -3.689272 -2.807733 0.017075
O -2.467308 3.163309 -1.651517
O -3.952133 -2.835832 -1.819263
O 4.492638 2.228186 -0.056243
O -4.554806 2.528073 0.176965
O -2.197512 3.721545 1.090630
O -2.891737 -4.142626 0.459320
O -5.081893 -2.395677 0.727049
N 3.475418 0.055862 -0.053566
N 3.913070 -1.316930 -0.073025
C -0.730178 0.839531 0.010984
C -0.225606 -0.527074 -0.010043
C -2.151733 0.992559 0.026603
C 2.079150 0.307429 -0.029475
C 1.179302 -0.767518 -0.030641
C -2.510819 -1.353518 -0.002072
C -1.151834 -1.620467 -0.018823
C 0.218874 1.911305 0.017724
C -3.067771 -0.050630 0.015122
C 1.587959 1.658084 -0.003574
C 5.813036 0.087215 -0.094408
C 4.561027 0.974028 -0.066132
C 5.234078 -1.310351 -0.096238
C 6.020235 -2.584668 -0.121064
H 1.560483 -1.790976 -0.048416
H -0.790914 -2.654889 -0.023515
H -0.130618 2.946157 0.048984
H -4.149026 0.124580 0.039084
H 2.302855 2.483471 0.000272
H 6.451847 0.290553 0.784254
H 6.422629 0.305103 -0.990155
H 6.659866 -2.637426 -1.022213
H 5.343965 -3.454137 -0.115952
H 6.692126 -2.652139 0.755248
H -2.813776 4.086443 -1.828448
H -4.696274 -3.478366 -2.011327


