%chk=000078299.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078299

0 1
 S    1.932700     -0.4005000      0.7629000    
 S   -2.706800      -1.506300     -0.4317000    
 O    2.229600      -1.470200       1.695500    
 O    1.019400      0.6584000       1.151500    
 O   -2.969500      -2.024500      -1.760000    
 O   -2.905400      -2.360400      0.7249000    
 N   4.6700001E-02  -1.837200     -0.7007000    
 C    1.330600      -1.115800     -0.7634000    
 C   -1.029500     -0.8837000     -0.3757000    
 C   0.1015000      -2.921500      0.2823000    
 C    3.453700      0.3814000      0.3157000    
 C   -3.717500     -7.7200003E-02 -0.1857000    
 C    1.183300      -3.928200     -7.0500001E-02
 C    3.438300       1.702000     -9.8600000E-02
 C   -4.132800      0.6541000      -1.285000    
 C    4.631900     -0.3415000      0.3878000    
 C   -4.074800      0.2843000       1.101800    
 C    4.638500       2.318900     -0.4516000    
 C   -4.930200       1.782000      -1.090700    
 C    5.832100      0.2755000      3.5000000E-02
 C   -4.872400       1.412000       1.296000    
 C    5.835500       1.605700     -0.3846000    
 C   -5.300200       2.160800      0.1997000    
 C    7.118600       2.265400     -0.7619000    
 C   -6.153000       3.366500      0.4072000    
 H    2.122000      -1.762000      -1.156600    
 H    1.246700     -0.2899000      -1.481100    
 H  -0.9360000     -0.4816000      0.6362000    
 H   -1.012100     -5.5900000E-02  -1.094400    
 H   0.1757000      -2.587700       1.321000    
 H  -0.8291000      -3.494800      0.2219000    
 H    1.105400      -4.250200      -1.115000    
 H    2.195900      -3.554300      0.1016000    
 H    1.068200      -4.822400      0.5526000    
 H    2.516700       2.271700     -0.1660000    
 H   -3.849000      0.3778000      -2.295900    
 H    4.646800      -1.379800      0.7046000    
 H   -3.745700     -0.2801000       1.968700    
 H    4.627900       3.354600     -0.7807000    
 H   -5.257400       2.357200      -1.952800    
 H    6.757700     -0.2916000      8.7800004E-02
 H   -5.153800       1.697200       2.306200    
 H    7.088500       3.339400     -0.5486000    
 H    7.958300       1.849900     -0.1945000    
 H    7.313300       2.125000      -1.829800    
 H   -7.210800       3.086000      0.3893000    
 H   -5.933000       3.845700       1.367300    
 H   -5.975200       4.115300     -0.3722000    


%chk=000078299-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078299

0 1
S 2.637920 -0.830321 1.085753
S -2.379541 -1.054000 -0.710762
O 3.431521 -2.120555 1.744509
O 1.717414 0.169664 2.034946
O -1.528130 -0.683774 -2.075378
O -3.151311 -2.501653 -0.550116
N 0.046003 -1.942240 0.478272
C 1.120799 -1.594415 -0.321009
C -0.910247 -0.973701 0.817389
C -0.123259 -3.312218 1.079255
C 3.952163 0.254980 0.259543
C -3.667918 0.310507 -0.456883
C 0.925442 -4.332638 0.624543
C 3.682706 1.621815 0.078230
C -3.438507 1.568130 -1.039047
C 5.164356 -0.344760 -0.120646
C -4.822401 0.002241 0.281518
C 4.677347 2.416947 -0.533646
C -4.415642 2.570583 -0.848938
C 6.143601 0.471038 -0.729930
C -5.784144 1.021731 0.457741
C 5.912330 1.854543 -0.954519
C -5.595206 2.315077 -0.099237
C 6.961259 2.713285 -1.637773
C -6.652373 3.391277 0.069377
H 1.678967 -2.413277 -0.780059
H 0.973961 -0.704249 -0.942153
H -1.502863 -1.208448 1.709192
H -0.571226 0.065650 0.747203
H -0.069697 -3.192679 2.178233
H -1.141881 -3.646455 0.807639
H 0.871355 -4.527577 -0.461648
H 1.946822 -4.012065 0.902160
H 0.721612 -5.287542 1.139910
H 2.743319 2.051903 0.441596
H -2.542126 1.742565 -1.643685
H 5.343724 -1.404391 0.090801
H -4.972416 -1.008488 0.675921
H 4.495860 3.488482 -0.678028
H -4.263236 3.561089 -1.293262
H 7.101862 0.029297 -1.027408
H -6.695051 0.808597 1.029143
H 6.918667 3.760022 -1.289867
H 7.980470 2.331464 -1.453931
H 6.807423 2.724903 -2.734307
H -7.391739 3.346489 -0.753625
H -7.207604 3.270640 1.015606
H -6.209082 4.402028 0.057177


