%chk=000173909.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173909

0 1
 S   -1.144300      0.4486000      0.3761000    
 O    1.397000       1.288800      -1.541900    
 O    1.990300      -3.634100      0.6692000    
 O    4.173000       1.576400       1.388700    
 O    3.305700       2.853600     -0.2839000    
 O   -4.482100       1.992800      0.6775000    
 O   -4.359400      0.9702000      -1.343800    
 N   -4.800300      -1.355800      0.4060000    
 C    1.562800      0.3400000     -0.4811000    
 C   0.2491000     -0.4831000     -0.3637000    
 C   0.4719000      -1.777300      0.4259000    
 C    1.524500      -2.658900     -0.2588000    
 C    2.721400     -0.5504000     -0.8715000    
 C    1.965900       1.117200      0.7805000    
 C    2.700500      -1.887400     -0.7759000    
 C   -2.422200     -0.8071000      0.1573000    
 C    3.185400       1.958200      0.5387000    
 C   -3.793300     -0.3154000      0.6250000    
 C   -4.246000      0.9237000     -0.1243000    
 H  -8.3400004E-02 -0.7432000      -1.378000    
 H  -0.4159000      -2.405600      0.5109000    
 H   0.7805000      -1.558800       1.457500    
 H    1.072200      -3.194100      -1.102200    
 H    3.620200     -8.1900001E-02  -1.266500    
 H    1.193600       1.830600       1.089500    
 H    2.132900      0.4407000       1.627500    
 H    3.569800      -2.450100      -1.105500    
 H   -2.194400      -1.690400      0.7563000    
 H   -2.456100      -1.094700     -0.8996000    
 H    1.204400      0.8017000      -2.361500    
 H   -3.766800     -8.9100003E-02   1.697900    
 H    1.219400      -4.146500      0.9675000    
 H   -4.538400      -2.196200      0.9205000    
 H   -4.810400      -1.625100     -0.5776000    
 H    4.990000       2.104000       1.260300    
 H   -4.756900       2.782000      0.1636000    


%chk=000173909-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173909

0 1
S -0.978623 -0.611295 1.784994
O 0.198388 1.147172 -1.027821
O 2.691554 -3.822335 -0.364194
O 2.660596 2.975729 1.592103
O 3.102848 2.315908 -0.583092
O -2.046883 1.894706 0.001481
O -2.444532 0.242120 -1.585040
N -4.831395 -0.338697 -0.049138
C 1.006682 0.137903 -0.265198
C 0.099650 -1.040550 0.246848
C 0.944422 -2.293898 0.573577
C 1.647368 -2.829922 -0.691675
C 2.056372 -0.399445 -1.237968
C 1.615001 0.949181 0.898939
C 2.332680 -1.711857 -1.437181
C -2.740646 -1.035613 1.172450
C 2.518879 2.104183 0.499912
C -3.598786 0.141788 0.569317
C -2.695651 0.788882 -0.469150
H -0.623846 -1.275968 -0.557584
H 0.287365 -3.067337 1.012643
H 1.718174 -2.055731 1.327818
H 0.888738 -3.303517 -1.358620
H 2.586987 0.381279 -1.793130
H 0.798839 1.354267 1.524141
H 2.206064 0.277152 1.549548
H 3.091269 -2.015925 -2.168472
H -3.248810 -1.444925 2.062615
H -2.646633 -1.833303 0.414301
H -0.215237 0.711928 -1.822310
H -3.819106 0.878477 1.358299
H 2.262320 -4.612352 0.053517
H -5.521616 -0.762735 0.571324
H -4.707160 -0.802946 -0.952200
H 3.274412 3.717885 1.337820
H -1.109082 1.923092 -0.428275


