%chk=000157599.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157599

0 1
 S   0.1020000      0.2547000       2.310900    
 P   4.1999999E-03  0.6138000      0.3944000    
 O  -0.9009000       1.886000     -6.3100003E-02
 O    1.408100      0.9657000     -0.3396000    
 O  -0.5799000     -0.5585000     -0.5611000    
 O    6.138800      -3.120800      0.2903000    
 O   -6.364600      -2.692900      0.6437000    
 O    7.272800      -1.268400     -2.8700000E-02
 O   -5.490000      -4.470100     -0.3028000    
 N    6.185300      -1.883900      8.4700003E-02
 N   -5.401700      -3.284700      9.8600000E-02
 C   -1.149200       5.631600      9.5500000E-02
 C   -1.514300       4.192200     -0.2603000    
 C   -2.197700       6.615700     -0.4226000    
 C  -0.4969000       3.202000      0.2884000    
 C   -1.854900       8.047000     -4.1000001E-02
 C    2.580500      0.2665000     -0.2362000    
 C   -1.762900      -1.227200     -0.3999000    
 C    2.554000      -1.109300     -7.6000001E-03
 C   -2.847400     -0.5902000      0.2034000    
 C    3.801400      0.9299000     -0.3584000    
 C   -1.884000      -2.546000     -0.8380000    
 C    4.969500      -1.158200     -2.3600001E-02
 C   -4.174100      -2.590800     -6.9600001E-02
 C    3.748400      -1.821600      9.8700002E-02
 C   -4.052900      -1.272000      0.3685000    
 C    4.995800      0.2176000     -0.2520000    
 C   -3.089600      -3.227800     -0.6727000    
 H  -0.1689000       5.879000     -0.3296000    
 H   -1.062900       5.729000       1.184700    
 H   -1.585800       4.075800      -1.348900    
 H   -2.508000       3.943700      0.1336000    
 H   -2.271400       6.540700      -1.513700    
 H   -3.182100       6.361800     -1.2600000E-02
 H   0.4934000       3.401200     -0.1333000    
 H  -0.4376000       3.282100       1.378200    
 H   -1.807400       8.162600       1.046500    
 H  -0.8887000       8.344100     -0.4610000    
 H   -2.616900       8.733800     -0.4227000    
 H    1.622800      -1.658500      7.7699997E-02
 H   -2.793700      0.4359000      0.5488000    
 H    3.827000       2.001500     -0.5359000    
 H   -1.041700      -3.046500      -1.307600    
 H    3.689600      -2.892800      0.2738000    
 H   -4.877200     -0.7438000      0.8411000    
 H    5.928200      0.7675000     -0.3524000    
 H   -3.147400      -4.254300      -1.025900    


%chk=000157599-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157599

0 1
S 0.238378 0.468258 2.448093
P 0.168407 0.677587 0.415189
O -0.691910 1.993214 -0.258172
O 1.667577 0.845343 -0.465496
O -0.479485 -0.630246 -0.544799
O 6.371500 -3.352746 0.621043
O -6.522682 -2.449947 0.500385
O 7.536523 -1.599308 -0.260866
O -5.658034 -4.325223 -0.471759
N 6.439102 -2.161708 0.125117
N -5.551202 -3.115396 -0.031423
C -1.350488 5.741819 0.159591
C -1.536881 4.270381 -0.285429
C -2.471203 6.664770 -0.372794
C -0.419971 3.381163 0.256760
C -2.292550 8.132905 0.068682
C 2.815683 0.051653 -0.262604
C -1.759602 -1.196732 -0.355575
C 2.770556 -1.258796 0.270651
C -2.844613 -0.487317 0.212235
C 4.035149 0.641251 -0.671694
C -1.903729 -2.525079 -0.820154
C 5.181316 -1.393258 -0.010292
C -4.233633 -2.449930 -0.143944
C 3.967544 -1.985936 0.401189
C -4.093452 -1.124557 0.323085
C 5.229817 -0.087874 -0.550552
C -3.154105 -3.158022 -0.719751
H -0.369447 6.119583 -0.195524
H -1.328096 5.799359 1.267534
H -1.545313 4.207845 -1.389824
H -2.512729 3.889581 0.071639
H -2.494115 6.608993 -1.479762
H -3.452392 6.287390 -0.020488
H 0.572280 3.691668 -0.118748
H -0.409299 3.356714 1.363923
H -2.299539 8.220977 1.171429
H -1.332209 8.544220 -0.295106
H -3.103522 8.771831 -0.325284
H 1.819922 -1.707862 0.571408
H -2.720183 0.548192 0.541462
H 4.025282 1.655313 -1.079874
H -1.040087 -3.034120 -1.256217
H 3.976540 -2.999456 0.809970
H -4.957505 -0.614190 0.755813
H 6.190472 0.332513 -0.858074
H -3.306973 -4.181719 -1.070290


