%chk=000171956.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171956

0 1
 S   -4.148700       1.750100      0.2186000    
 O   -2.690500       2.470600      0.3744000    
 O   -4.568200       1.929800      -1.162400    
 O   -4.992600       2.191400       1.316600    
 C    3.808700     -0.4118000     -0.7675000    
 C    2.355700     -9.5600002E-02 -0.4019000    
 C    4.816300      5.0900001E-02  0.2891000    
 C    1.308700     -0.4541000      -1.461600    
 C    6.250500     -0.2695000     -0.1479000    
 C  -0.1136000     -5.1399998E-02  -1.064300    
 C    7.349500      0.1025000      0.8654000    
 C   -1.173600     -0.4829000      -2.085400    
 C   -2.614200     -8.7700002E-02  -1.740500    
 C    7.366700       1.596300       1.184900    
 C    8.735000     -0.3641000      0.4189000    
 C   -3.140500     -0.7089000     -0.4709000    
 C   -3.843600      4.5200001E-02  0.4688000    
 C   -2.911800      -2.066400     -0.2456000    
 C   -4.318100     -0.5585000       1.633400    
 C   -3.386300      -2.669800      0.9191000    
 C   -4.089400      -1.915900       1.858600    
 H    3.909300      -1.493100     -0.9224000    
 H    4.045000      6.8400003E-02  -1.725100    
 H    2.106600     -0.6150000      0.5322000    
 H    2.276900      0.9780000     -0.1880000    
 H    4.602200     -0.4412000       1.244900    
 H    4.699500       1.129200      0.4411000    
 H    1.344500      -1.535300      -1.643000    
 H    1.570000      3.5200000E-02  -2.407700    
 H    6.456200      0.2385000      -1.099200    
 H    6.319500      -1.345900     -0.3530000    
 H  -0.1566000       1.037200     -0.9380000    
 H  -0.3417000     -0.4918000     -8.6800002E-02
 H    7.124300     -0.4259000       1.801600    
 H  -0.9251000     -1.6500000E-02  -3.048400    
 H   -1.092600      -1.561300      -2.261900    
 H   -3.274600     -0.3950000      -2.561500    
 H   -2.602700      0.9975000      -1.747500    
 H    7.505200       2.192600      0.2769000    
 H    6.436800       1.914600       1.665400    
 H    8.183400       1.837400       1.874200    
 H    9.037000      0.1320000     -0.5097000    
 H    8.742600      -1.444900      0.2435000    
 H    9.488100     -0.1441000       1.182900    
 H   -2.390000      -2.688000     -0.9662000    
 H   -4.866600     -2.4000001E-03   2.387700    
 H   -3.213200      -3.728000       1.092300    
 H   -4.459100      -2.386400       2.764900    
 H   -2.093300       2.432100     -0.4072000    


%chk=000171956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171956

0 1
S -4.013722 1.781316 0.402398
O -2.213830 2.264401 0.498747
O -4.582756 2.279598 -1.028941
O -4.757773 2.281928 1.750213
C 3.789387 -0.326459 -0.836329
C 2.334050 0.058348 -0.487362
C 4.819472 0.171090 0.203412
C 1.302569 -0.436239 -1.526438
C 6.269712 -0.243872 -0.134753
C -0.154563 -0.090363 -1.147524
C 7.326104 0.139127 0.937012
C -1.176570 -0.591493 -2.191208
C -2.648020 -0.206753 -1.868826
C 7.475688 1.672581 1.086717
C 8.692478 -0.507235 0.605947
C -3.168031 -0.810351 -0.569071
C -3.747674 -0.090475 0.499714
C -3.096251 -2.218049 -0.363065
C -4.214685 -0.654146 1.701882
C -3.559417 -2.829309 0.819769
C -4.117463 -2.051266 1.860929
H 3.864160 -1.430917 -0.925300
H 4.049001 0.082995 -1.835271
H 2.076016 -0.356083 0.509644
H 2.257439 1.161644 -0.392220
H 4.550534 -0.229401 1.203860
H 4.747448 1.274833 0.279750
H 1.402043 -1.536573 -1.643348
H 1.540995 0.003453 -2.517969
H 6.566054 0.206024 -1.106747
H 6.296650 -1.344600 -0.280824
H -0.263963 1.005478 -1.024215
H -0.388838 -0.528934 -0.156615
H 6.980018 -0.269138 1.911523
H -0.928967 -0.163439 -3.183456
H -1.082515 -1.691489 -2.301145
H -3.298663 -0.557155 -2.695173
H -2.736477 0.891638 -1.854904
H 7.785252 2.126803 0.124945
H 6.530388 2.151218 1.399634
H 8.244745 1.923148 1.841270
H 9.074690 -0.137068 -0.365542
H 8.610151 -1.608450 0.538155
H 9.448234 -0.268355 1.377573
H -2.664097 -2.835103 -1.158478
H -4.644097 -0.012487 2.478007
H -3.487134 -3.916548 0.931369
H -4.474471 -2.521369 2.782404
H -2.181702 3.265597 0.491651


