%chk=000168698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168698

0 1
 S   -1.579300       2.537400     -0.2928000    
 S   0.5015000      0.7024000      0.9223000    
 O   -5.342200      -1.993600      0.4478000    
 O    5.939900      -1.310000     -0.3469000    
 C   5.7000000E-02   1.680900     -0.5950000    
 C    1.074300       2.815000     -0.7946000    
 C  -8.7000001E-03  0.8164000      -1.858100    
 C   -2.711400       1.173500     -7.0000000E-02
 C    2.135800      9.7800002E-02  0.5405000    
 C   -4.259100     -0.4283000     -0.9964000    
 C    3.569000      -1.601000     -0.4030000    
 C   -3.811400     -0.4122000       1.377600    
 C    4.533500      0.3789000      0.5905000    
 C   -2.927100      0.6525000       1.203600    
 C    3.255600      0.8518000      0.8886000    
 C   -3.374800      0.6362000      -1.170500    
 C    2.291100      -1.128000     -0.1050000    
 C   -4.477400     -0.9525000      0.2777000    
 C    4.690300     -0.8474000     -5.5399999E-02
 C   -4.962900     -0.9936000      -2.186100    
 C    3.716900      -2.916100      -1.094800    
 C   -4.032300     -0.9598000       2.749300    
 C    5.721900       1.199600      0.9706000    
 H   0.7679000       3.483500      -1.609700    
 H    2.060400       2.434900      -1.082000    
 H    1.198900       3.429500      0.1054000    
 H   0.9863000      0.4699000      -2.159100    
 H  -0.6329000     -7.3200002E-02  -1.723600    
 H  -0.4061000       1.382700      -2.709000    
 H   -2.422500       1.080300       2.066800    
 H    3.136200       1.806800       1.395700    
 H   -3.207500       1.045400      -2.164400    
 H    1.417800      -1.717600     -0.3755000    
 H   -4.681600     -0.4722000      -3.107800    
 H   -4.703600      -2.048600      -2.323100    
 H   -6.047800     -0.8910000      -2.078000    
 H    4.282100      -3.618400     -0.4732000    
 H    2.744100      -3.378100      -1.297200    
 H    4.218800      -2.790600      -2.060000    
 H   -3.431000     -0.4375000       3.501100    
 H   -5.083600     -0.8533000       3.036200    
 H   -3.755300      -2.018700       2.785200    
 H    6.302100       1.463700      8.0300003E-02
 H    5.433900       2.133900       1.464300    
 H    6.361200      0.6440000       1.664600    
 H   -5.733800      -2.269200     -0.3951000    
 H    5.903500      -2.169700     -0.7935000    


%chk=000168698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168698

0 1
S -1.671814 2.622692 -0.121449
S 0.724243 1.214271 1.158129
O -5.373436 -2.164078 0.150091
O 5.986153 -1.465449 -0.227946
C 0.069972 1.915399 -0.539412
C 0.915007 3.127279 -0.961785
C 0.008355 0.821548 -1.605588
C -2.750672 1.129315 -0.067384
C 2.308158 0.391769 0.682434
C -4.487170 -0.246958 -1.135460
C 3.531347 -1.639698 0.021824
C -3.678098 -0.794581 1.157234
C 4.759020 0.492051 0.420867
C -2.803592 0.313540 1.087688
C 3.526181 1.112919 0.727024
C -3.589744 0.846524 -1.168911
C 2.320556 -0.979171 0.336241
C -4.510579 -1.053434 0.035383
C 4.735523 -0.883756 0.068438
C -5.401183 -0.559715 -2.308278
C 3.558467 -3.112706 -0.348840
C -3.750581 -1.684199 2.380163
C 6.072668 1.243362 0.468154
H 0.541036 3.543396 -1.916275
H 1.965528 2.814486 -1.104269
H 0.890897 3.919518 -0.193888
H 1.021917 0.422703 -1.794402
H -0.642551 -0.011249 -1.291514
H -0.385775 1.239993 -2.550957
H -2.154809 0.542121 1.938626
H 3.514371 2.168863 1.018793
H -3.546271 1.484980 -2.057855
H 1.377285 -1.536135 0.318409
H -5.246147 0.164649 -3.124488
H -5.212022 -1.567289 -2.732175
H -6.473888 -0.504296 -2.030787
H 4.156709 -3.714230 0.365790
H 2.539281 -3.532175 -0.343663
H 3.970372 -3.283465 -1.364700
H -3.033457 -1.354911 3.150324
H -4.766243 -1.677748 2.816966
H -3.532617 -2.736472 2.120518
H 6.581584 1.218622 -0.512950
H 5.916355 2.295979 0.758194
H 6.769973 0.779034 1.189514
H -5.926455 -2.264006 -0.664188
H 5.883844 -2.422896 -0.455338


