%chk=000027755.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027755

0 1
 S   -2.620500      0.7066000       1.999500    
 S    4.979800      -2.020300     -0.9438000    
 O   -2.250600      -2.931000     -0.4437000    
 O   -3.799000     -0.2006000      -2.418600    
 O   -5.887800     -2.7999999E-03  -1.527500    
 O    1.650500     -0.9821000       2.156400    
 N   -2.553500     -0.5991000     -0.2402000    
 N   0.4887000      -1.215700      0.1790000    
 N    4.747700     -0.3762000      -1.018700    
 C   -1.597500      0.1339000      0.5955000    
 C   -4.117700      0.8376000      0.9010000    
 C   -3.975400     -0.3572000     -6.8000004E-02
 C  -0.8457000      -1.190400      0.7853000    
 C   -1.942000      -1.811800     -0.1020000    
 C   -5.378000      0.7194000       1.760300    
 C   -4.077700       2.209600      0.2125000    
 C   -4.684100     -0.1653000      -1.392600    
 C    1.664100      -1.106600      0.9322000    
 C    2.925400      -1.179400      0.1829000    
 C    3.617900     -8.9699998E-02 -0.3762000    
 C    3.561700      -2.362000     -4.5800000E-02
 C    3.205800       1.294900     -0.3085000    
 C    3.229200      -3.749300      0.3337000    
 C    3.629400       2.086800      0.7521000    
 C    2.390800       1.818700      -1.304900    
 C    3.231700       3.422200      0.8176000    
 C    1.993200       3.154100      -1.239400    
 C    2.413800       3.955800     -0.1782000    
 H   -1.078100      0.9219000      4.1200001E-02
 H   -4.395700      -1.272000      0.3727000    
 H  -0.8547000      -1.610200       1.798100    
 H   -5.441600       1.529200       2.496500    
 H   -6.279600      0.7727000       1.140000    
 H   -5.412600     -0.2317000       2.304100    
 H   -4.044900       3.024800      0.9452000    
 H   -3.210300       2.317700     -0.4483000    
 H   -4.973400       2.372300     -0.3974000    
 H   0.5840000      -1.318600     -0.8290000    
 H   -4.239300     -7.8199998E-02  -3.286600    
 H    4.105500      -4.277100      0.7249000    
 H    2.458700      -3.780900       1.110700    
 H    2.852300      -4.303700     -0.5322000    
 H    4.266500       1.684500       1.535800    
 H    2.053900       1.205500      -2.137100    
 H    3.558700       4.046400       1.644100    
 H    1.355400       3.569500      -2.014200    
 H    2.103700       4.995500     -0.1271000    


%chk=000027755-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027755

0 1
S -2.510946 0.521311 2.324646
S 5.406670 -2.050019 -0.807461
O -2.165071 -2.728567 -0.842845
O -3.733861 0.972757 -2.216241
O -5.856630 0.474280 -1.415761
O 1.602573 -2.072814 2.056467
N -2.501318 -0.413305 -0.179539
N 0.652889 -1.149008 0.142316
N 4.742698 -0.415246 -1.176789
C -1.504781 0.175701 0.751479
C -4.037291 0.945979 1.185961
C -3.916961 -0.088501 -0.022716
C -0.690627 -1.173780 0.667469
C -1.853630 -1.671884 -0.268694
C -5.332328 0.712099 1.980652
C -3.902737 2.413330 0.724321
C -4.614490 0.461090 -1.268047
C 1.744669 -1.576493 0.895350
C 3.073983 -1.450469 0.209334
C 3.542133 -0.297166 -0.558898
C 3.991124 -2.502650 0.207291
C 2.864778 1.024642 -0.675848
C 3.900145 -3.852966 0.856670
C 2.210464 1.614663 0.439665
C 2.925140 1.741327 -1.900452
C 1.611860 2.887726 0.323514
C 2.323439 3.012717 -2.014185
C 1.661549 3.589192 -0.904465
H -0.991609 1.083594 0.401391
H -4.472915 -1.006674 0.249327
H -0.672980 -1.720453 1.626310
H -5.416541 1.431598 2.813801
H -6.205025 0.851194 1.315826
H -5.371155 -0.309466 2.397059
H -3.855281 3.074670 1.605164
H -2.992750 2.574816 0.120895
H -4.779659 2.713313 0.118701
H 0.812141 -0.789806 -0.801310
H -4.254759 1.311370 -2.995366
H 4.839072 -4.109144 1.379331
H 3.083306 -3.854471 1.595469
H 3.709549 -4.645207 0.108352
H 2.194342 1.093835 1.403534
H 3.452998 1.293765 -2.748615
H 1.123649 3.337855 1.195113
H 2.374509 3.554746 -2.964689
H 1.198366 4.578218 -0.992187


