%chk=000002628.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002628

0 1
 S   0.5196000     -0.3795000      -2.392100    
 S   -3.933900     -0.9779000     -0.6923000    
 S   -6.967100      -1.040900     -0.5563000    
 S    6.521500       2.710100       2.023400    
 O    1.775600      -3.022700       1.220200    
 O  -0.9914000     -0.9448000       2.706500    
 O   -1.647700      -2.813400       1.563100    
 O    4.559500     -0.1301000      -2.338900    
 O    8.215700     -0.6536000     -1.1400000E-02
 O   -11.18950       1.004200     -0.7397000    
 O   -9.162200       1.612800      -1.562600    
 N   0.6903000      -1.247000      0.1113000    
 N    3.884900      -1.174800     -0.3480000    
 N    7.055000      -1.086400     -0.6676000    
 N   -5.515800      0.7790000      0.5681000    
 N    6.810200       2.110400     -0.4745000    
 N    7.399400       4.326300      0.1028000    
 C    1.447300     -0.4577000     -0.8430000    
 C    2.529900      -1.554800     -0.7459000    
 C    1.671200      -2.122800      0.4200000    
 C  -0.6036000     -0.9975000      0.4394000    
 C   -1.377600     -0.1770000     -0.3101000    
 C  -0.9120000      0.4502000      -1.622300    
 C   -2.795300      0.2134000      3.2499999E-02
 C   -1.144700      -1.708800       1.607100    
 C    4.751200     -0.5024000      -1.192500    
 C    6.090600     -0.2229000     -0.5611000    
 C   -5.480000     -0.3065000     -0.1554000    
 C    6.337300       1.013400      0.1879000    
 C   -7.768700      0.1998000      0.3150000    
 C   -6.838100       1.071800      0.8399000    
 C    6.114400       1.119600       1.527700    
 C   -9.242300      0.2104000      0.4093000    
 C   -7.132100       2.269200       1.653800    
 C    6.948200       3.079600      0.4028000    
 C   -9.832900       1.001200     -0.7405000    
 C    9.212900      -1.649900     -0.1764000    
 H    1.749300      0.5159000     -0.4377000    
 H    2.564400      -2.258400      -1.588800    
 H  -0.6604000       1.502700      -1.450800    
 H   -1.715000      0.4183000      -2.365800    
 H    4.221700      -1.409700      0.5830000    
 H   -2.934600      0.2404000       1.118700    
 H   -3.007600       1.224100     -0.3353000    
 H   -1.341300      -1.382200       3.511800    
 H    5.747700      0.3819000       2.227600    
 H   -9.650900     -0.8058000      0.3773000    
 H   -9.563900      0.6783000       1.346100    
 H   -7.596700       1.984700       2.603200    
 H   -6.217700       2.826900       1.880600    
 H   -7.811700       2.942900       1.122200    
 H    9.437600      -1.791400      -1.238100    
 H    8.884900      -2.594300      0.2689000    
 H    10.12140      -1.318400      0.3334000    
 H    7.662200       4.586400     -0.8422000    
 H    7.491000       5.046600      0.8115000    
 H   -11.55470       1.538400      -1.477000    


%chk=000002628-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002628

0 1
S -0.737098 0.868595 -0.113976
S -4.378034 -2.586972 -0.130947
S -7.016155 -1.047032 -0.807104
S 7.267941 4.208304 -2.262506
O 1.722286 -2.739305 -1.757277
O 0.523129 -4.339373 0.434854
O -1.757742 -4.548235 0.038429
O 3.460001 1.783047 -1.813610
O 7.039918 -0.087135 0.773591
O -9.524337 2.967247 -1.561297
O -7.241064 3.092943 -1.145167
N 0.420683 -1.658433 0.020509
N 3.226893 -0.072263 -0.433207
N 5.698253 0.001677 0.296792
N -5.321632 -0.242031 1.083348
N 7.540835 2.347195 -0.337957
N 9.414293 3.828464 -0.475290
C 0.740627 -0.237415 0.293701
C 1.859310 -0.313310 -0.808511
C 1.408095 -1.803938 -1.008602
C -0.765025 -2.331421 0.378077
C -1.868601 -1.638982 0.844134
C -1.909766 -0.128058 0.992099
C -3.120139 -2.332187 1.311456
C -0.757900 -3.819117 0.251768
C 3.964705 0.964748 -0.985246
C 5.416290 1.024694 -0.508565
C -5.484049 -1.196424 0.183989
C 6.287781 2.120994 -0.957057
C -7.384831 0.448520 0.163018
C -6.379195 0.692568 1.085930
C 5.967296 3.005333 -1.990293
C -8.609198 1.263407 -0.138984
C -6.307925 1.859990 2.034554
C 8.179581 3.368440 -0.867648
C -8.329878 2.509036 -0.984724
C 7.146373 -1.303066 1.610436
H 1.079780 -0.045238 1.323482
H 1.622956 0.312151 -1.688443
H -1.699359 0.151010 2.042493
H -2.926950 0.236017 0.764619
H 3.740418 -0.701548 0.195149
H -2.956632 -3.353172 1.679296
H -3.668677 -1.722718 2.047180
H 0.514537 -5.314687 0.238783
H 5.053539 3.026560 -2.577007
H -9.392466 0.674852 -0.645589
H -9.069661 1.622568 0.803634
H -7.298364 2.317245 2.198024
H -5.903111 1.535401 3.008088
H -5.643039 2.645613 1.631113
H 6.903861 -2.203459 1.019614
H 6.478601 -1.230198 2.486606
H 8.200144 -1.321201 1.928691
H 9.887830 3.340791 0.281760
H 9.854187 4.630601 -0.914605
H -9.343815 3.796209 -2.082807


