%chk=000125390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125390

0 1
 S   -6.326200      -1.218800      0.8076000    
 S   -8.366900      -1.066000      0.9398000    
 O   0.3885000       1.413700      0.1756000    
 O    7.595200     -0.9018000     -3.0800000E-02
 O    7.387300       1.307500      0.4613000    
 N    1.316200     -0.6991000     -0.2623000    
 C   -6.078800      0.1070000     -0.4134000    
 C   -4.742200      0.7987000     -0.1933000    
 C   -3.573000     -0.1646000     -0.3956000    
 C   -7.260000       1.067000     -0.2520000    
 C   -2.232700      0.5258000     -0.1403000    
 C   -8.565700      0.2809000     -0.2525000    
 C   -1.065900     -0.4448000     -0.3093000    
 C   0.2861000      0.2227000     -9.8399997E-02
 C    2.707700     -0.4672000     -0.1485000    
 C    3.159900      0.8049000      0.1602000    
 C    3.587600      -1.517800     -0.3485000    
 C    4.531500       1.033100      0.2720000    
 C    4.959200      -1.289800     -0.2365000    
 C    5.431100     -1.4200000E-02  7.3600002E-02
 C    6.861000      0.2229000      0.1911000    
 H   -6.106100     -0.3440000      -1.412700    
 H   -4.694100       1.239600      0.8110000    
 H   -4.646000       1.631100     -0.9021000    
 H   -3.593100     -0.5576000      -1.419700    
 H   -3.639200      -1.023600      0.2797000    
 H   -7.170100       1.649600      0.6756000    
 H   -7.267700       1.795400      -1.071800    
 H   -2.217600      0.9439000      0.8741000    
 H   -2.116500       1.369600     -0.8318000    
 H   -8.768800     -0.1424000      -1.241600    
 H   -9.411300      0.9145000      2.9999999E-02
 H   -1.158100      -1.268400      0.4090000    
 H   -1.080800     -0.8732000      -1.318800    
 H    1.055200      -1.656100     -0.4908000    
 H    2.528700       1.664800      0.3279000    
 H    3.230100      -2.514800     -0.5905000    
 H    4.880300       2.033700      0.5146000    
 H    5.624100      -2.133500     -0.3988000    
 H    8.557800     -0.7313000      5.1199999E-02


%chk=000125390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125390

0 1
S -6.410042 -1.630925 0.160377
S -8.469148 -1.222850 1.137980
O 0.471783 1.461969 -0.919097
O 7.642012 -0.936954 0.763199
O 7.511065 1.347517 0.362881
N 1.331256 -0.665083 -0.412996
C -6.158192 0.192241 -0.439717
C -4.746814 0.674757 -0.055665
C -3.608054 -0.144082 -0.701894
C -7.275382 1.079266 0.156461
C -2.211553 0.396314 -0.329642
C -8.639012 0.373436 0.137527
C -1.069221 -0.446969 -0.942515
C 0.299234 0.219539 -0.755973
C 2.709856 -0.395661 -0.210312
C 3.272028 0.907506 -0.323152
C 3.547636 -1.498985 0.121175
C 4.649517 1.082505 -0.105693
C 4.921259 -1.311608 0.336469
C 5.487387 -0.014265 0.224529
C 6.930956 0.236221 0.442164
H -6.266552 0.134737 -1.538679
H -4.650441 0.647203 1.047290
H -4.650272 1.737589 -0.365329
H -3.725497 -0.135408 -1.805880
H -3.698887 -1.203445 -0.381257
H -7.015484 1.341610 1.198962
H -7.329195 2.019705 -0.428742
H -2.101323 0.419873 0.772752
H -2.095796 1.438709 -0.681487
H -8.962489 0.117643 -0.884961
H -9.420388 0.967536 0.642038
H -1.081368 -1.473630 -0.525643
H -1.242182 -0.542616 -2.034207
H 1.054760 -1.643387 -0.298088
H 2.624921 1.748505 -0.575696
H 3.116663 -2.504487 0.209150
H 5.099577 2.077275 -0.188330
H 5.566077 -2.156766 0.591127
H 8.598003 -0.697136 0.895174


