%chk=000178385.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178385

0 1
 S   -3.293100       1.159400      0.3217000    
 P   0.6394000      3.5799999E-02 -0.7315000    
 O  -0.7066000      0.7009000     -9.7300000E-02
 O   0.6404000      0.2318000      -2.229000    
 O   -3.212200       2.565700     -2.1000000E-02
 O   -3.265900      0.7217000       1.703600    
 N    1.914800      0.7409000      4.0600002E-02
 N   0.6357000      -1.545100     -0.2615000    
 C    3.264200      0.2351000     -0.2001000    
 C    2.032500       2.199200      3.3399999E-02
 C   0.4910000      -1.868700       1.155800    
 C  -0.2179000      -2.496500     -0.9732000    
 C    4.129300       1.155300      0.6367000    
 C    3.426600       2.501100      0.5652000    
 C   0.4896000      -3.383700       1.162800    
 C  -0.2073000      -3.765800     -0.1329000    
 C   -1.993700      0.3069000     -0.5499000    
 C   -4.766900      0.5060000     -0.4232000    
 H    3.522900      0.3153000      -1.262500    
 H    3.381600     -0.8075000      0.1095000    
 H    1.259700       2.662600      0.6544000    
 H    1.928800       2.588900     -0.9862000    
 H    1.311400      -1.471900       1.760800    
 H  -0.4539000      -1.480900       1.553500    
 H   -1.242700      -2.173200      -1.134900    
 H   0.2027000      -2.697600      -1.964700    
 H    5.159100       1.206200      0.2708000    
 H    4.157100      0.8085000       1.677100    
 H    3.391400       2.969900       1.554400    
 H    3.955600       3.181000     -0.1117000    
 H  -1.4800000E-02  -3.796400       2.041600    
 H    1.518500      -3.764400       1.154000    
 H   0.3225000      -4.583900     -0.6324000    
 H   -1.231900      -4.099000      6.6799998E-02
 H   -2.174900     -0.7374000     -0.3128000    
 H   -2.099100      0.5055000      -1.618500    
 H   -5.627900      0.9788000      5.3700000E-02
 H   -4.755800      0.7382000      -1.489700    
 H   -4.795600     -0.5731000     -0.2615000    


%chk=000178385-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178385

0 1
S -3.047167 1.897156 0.099043
P -0.002553 -0.360029 -0.293906
O -1.174315 -0.066934 1.073611
O -0.789588 -0.116836 -1.672155
O -1.758263 2.881902 0.359040
O -4.510357 2.221484 0.766180
N 1.273720 0.594774 0.320143
N 0.570162 -1.970175 -0.203343
C 2.614586 0.566633 -0.347794
C 1.093049 1.828736 1.164676
C 1.254466 -2.540477 0.994728
C 0.127657 -3.031595 -1.160675
C 3.401393 1.660160 0.411529
C 2.308819 2.698250 0.773081
C 1.528978 -4.003212 0.572367
C 0.335444 -4.338792 -0.359373
C -2.532943 0.008204 0.752491
C -3.276830 1.788076 -1.798409
H 2.531048 0.819355 -1.424224
H 3.080880 -0.432278 -0.262529
H 1.129697 1.542108 2.232670
H 0.123650 2.316834 0.962856
H 2.177078 -1.981235 1.229866
H 0.592356 -2.497385 1.882644
H -0.917993 -2.874359 -1.476590
H 0.758622 -3.008817 -2.069677
H 4.214698 2.079401 -0.205038
H 3.846401 1.238002 1.331497
H 2.611804 3.371177 1.592941
H 2.062071 3.318430 -0.108018
H 1.599486 -4.676566 1.443211
H 2.479379 -4.064892 0.011090
H 0.534440 -5.201005 -1.017685
H -0.563862 -4.564461 0.242758
H -3.147751 -0.043406 1.663106
H -2.873142 -0.625727 -0.085079
H -3.379989 2.832471 -2.124470
H -2.366807 1.296876 -2.175037
H -4.193726 1.207749 -1.973625


