%chk=000174915.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000174915

0 1
 S    7.842700      -1.537300      5.7999998E-02
 O   -1.693200       2.528600      0.1037000    
 O   -8.730200      -1.005000     -0.5209000    
 O    8.147300      -2.208500      -1.401600    
 O    9.104900      -1.006300      0.5524000    
 O    7.082200      -2.495500      0.8454000    
 N    2.710100      0.7158000      0.6258000    
 N   -2.836400      2.0099999E-02  0.6219000    
 N    3.165000      0.5189000     -0.5247000    
 N   -3.227400     -0.2879000     -0.5281000    
 C   0.7688000     -0.7221000      0.8871000    
 C    1.322000      0.5319000      0.6276000    
 C   -1.448000      0.2006000      0.6211000    
 C  -0.6162000     -0.8878000      0.8838000    
 C  -0.8950000       1.454700      0.3616000    
 C   0.4901000       1.620400      0.3649000    
 C    1.639300      -1.902400       1.171400    
 C    6.781600     -0.1902000     -0.2688000    
 C    4.558300      0.7036000     -0.5269000    
 C    5.398800     -0.3743000     -0.2664000    
 C    7.316900       1.070800     -0.5317000    
 C    5.086900       1.963700     -0.7897000    
 C    6.469500       2.147800     -0.7920000    
 C   -4.621000     -0.4694000     -0.5276000    
 C   -7.380500     -0.8291000     -0.5229000    
 C   -5.152900      -1.727900     -0.2640000    
 C   -5.458400      0.6105000     -0.7889000    
 C   -6.536100      -1.908200     -0.2617000    
 C   -6.841500      0.4304000     -0.7864000    
 C   -9.530100      0.1130000     -0.1388000    
 C   -2.107700       3.311000       1.221600    
 C   -10.80970     -0.3899000      0.4950000    
 H   -1.053600      -1.863000       1.085200    
 H   0.9182000       2.599300      0.1622000    
 H    2.357900      -1.672000       1.965200    
 H    1.055900      -2.765700       1.509600    
 H    2.182100      -2.200900      0.2688000    
 H    4.967100      -1.352600     -7.1599998E-02
 H    8.390400       1.236100     -0.5459000    
 H    4.434100       2.807900     -0.9947000    
 H    6.886200       3.129300     -0.9984000    
 H   -4.502100      -2.573900     -5.9900001E-02
 H   -5.046000       1.593400      -1.000900    
 H   -6.950000      -2.891400     -5.5599999E-02
 H   -7.462000       1.290000      -1.021700    
 H   -9.022700      0.7442000      0.6015000    
 H   -9.765900      0.7076000      -1.028300    
 H   -2.745800       4.119900      0.8554000    
 H   -2.683600       2.703600       1.926800    
 H   -1.240300       3.749900       1.724700    
 H   -11.45360      0.4430000      0.7913000    
 H   -11.35970      -1.030200     -0.2026000    
 H   -10.58940     -0.9982000       1.378600    
 H    8.605500      -1.622500      -2.048900    


%chk=000174915-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174915

0 1
S 7.964051 -1.600318 -0.132493
O -1.190364 2.908979 0.016057
O -8.992136 -1.020377 0.202447
O 7.965024 -1.885040 -1.971836
O 9.491893 -1.357804 0.346457
O 7.059729 -2.744490 0.567027
N 2.895431 0.257258 0.092255
N -2.773913 0.469964 0.284120
N 3.538845 1.392765 -0.038421
N -3.384150 -0.649728 0.613648
C 0.771337 -0.873174 0.375938
C 1.480843 0.364183 0.180199
C -1.355224 0.410053 0.335528
C -0.627831 -0.812979 0.448372
C -0.622572 1.640842 0.174139
C 0.778748 1.595557 0.088911
C 1.504652 -2.194900 0.488824
C 7.033007 0.036803 -0.202850
C 4.959919 1.249059 -0.132146
C 5.644022 -0.001518 -0.104414
C 7.804956 1.207584 -0.325834
C 5.698065 2.455430 -0.260961
C 7.106085 2.436001 -0.353500
C -4.794744 -0.631771 0.461227
C -7.613544 -0.827313 0.252661
C -5.480444 -1.778894 0.959068
C -5.544807 0.411903 -0.156146
C -6.874037 -1.876484 0.863195
C -6.940954 0.318788 -0.263838
C -9.832920 0.029830 -0.420565
C -2.299783 3.332507 0.897310
C -11.278656 -0.444451 -0.313978
H -1.215800 -1.727904 0.569470
H 1.336060 2.525776 -0.048211
H 2.190939 -2.201217 1.354171
H 0.790271 -3.027211 0.604726
H 2.127182 -2.386479 -0.402648
H 5.079612 -0.932880 0.003856
H 8.896463 1.155696 -0.381527
H 5.140586 3.397132 -0.280487
H 7.662957 3.373117 -0.448125
H -4.887829 -2.574736 1.421227
H -5.008054 1.277183 -0.557723
H -7.416723 -2.745901 1.244813
H -7.498930 1.124196 -0.750211
H -9.678293 0.985792 0.119027
H -9.525882 0.160438 -1.477763
H -2.502184 4.374919 0.607095
H -3.184814 2.696367 0.744881
H -1.978567 3.294142 1.956017
H -11.954973 0.302850 -0.766992
H -11.414806 -1.403822 -0.841060
H -11.567585 -0.583040 0.741516
H 8.442640 -2.748880 -2.141456


