%chk=000148953.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148953

0 1
 S    4.456600      -3.475100      7.7600002E-02
 S   -6.202100      -1.596100      0.3402000    
 O    4.134200      -4.466100     -0.9392000    
 O    5.824100      -2.991200      0.2073000    
 O   -7.602800      -1.569600      0.7182000    
 O   -5.803000      -2.048500     -0.9778000    
 N  -0.3697000       1.074500      -1.287000    
 N    3.355300       1.474200      0.5924000    
 N   -5.512400     -5.9099998E-02  0.6985000    
 C    1.713700      8.8500001E-02 -0.4911000    
 C   0.8934000       1.210000     -0.6498000    
 C    2.953800      0.2689000      0.1445000    
 C    1.305200       2.463800     -0.1866000    
 C    2.561300       2.551200      0.4370000    
 C    3.392100      -2.109300     -0.1462000    
 C    3.775000     -0.8439000      0.3054000    
 C    1.325100      -1.183500     -0.9466000    
 C    2.164600      -2.279900     -0.7735000    
 C   -1.649900      0.7919000     -0.7927000    
 C   0.5011000       3.607600     -0.3325000    
 C    2.976900       3.796800      0.9002000    
 C   0.9398000       4.841100      0.1393000    
 C    2.180300       4.935600      0.7569000    
 C   -2.743000      0.7164000      -1.663500    
 C   -1.848800      0.5828000      0.5769000    
 C    3.991200      -4.143200       1.658900    
 C   -4.208000      0.2289000      0.1947000    
 C   -4.017700      0.4360000      -1.171400    
 C   -3.123400      0.3022000       1.068900    
 C   -5.362500      -2.604800       1.541000    
 H    4.734700     -0.7137000      0.8030000    
 H   0.3734000      -1.351300      -1.444100    
 H  -0.3181000       1.209500      -2.292500    
 H    1.839000      -3.253000      -1.128900    
 H  -0.4722000       3.570300     -0.8149000    
 H    3.945000       3.896700       1.387700    
 H   0.3175000       5.723300      2.4499999E-02
 H   -2.610800      0.8782000      -2.730500    
 H   -1.022500      0.6334000       1.281200    
 H    2.532300       5.893400       1.128400    
 H    4.149200      -3.383000       2.426300    
 H    2.943100      -4.446000       1.621800    
 H    4.622600      -5.011600       1.859100    
 H   -4.854600      0.3948000      -1.863700    
 H   -3.259800      0.1410000       2.135200    
 H   -5.673000      0.2783000       1.657200    
 H   -5.553400      -2.204400       2.538400    
 H   -5.764500      -3.617900       1.467600    
 H   -4.294400      -2.617900       1.318800    


%chk=000148953-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148953

0 1
S 5.438101 -3.355461 -0.226850
S -6.953977 -0.663985 0.389289
O 5.074592 -4.518100 -1.321835
O 6.832013 -2.503187 -0.274994
O -8.350983 -0.234368 1.097135
O -6.886484 -1.231691 -1.130316
N -0.400875 0.304608 -1.166626
N 3.338361 1.344305 0.706087
N -5.817108 0.983119 0.404991
C 1.850428 -0.308176 -0.421889
C 0.799663 0.665325 -0.511605
C 3.119062 0.105107 0.172127
C 1.031599 1.987679 -0.007168
C 2.319250 2.259067 0.629475
C 3.991079 -2.120665 -0.249296
C 4.204305 -0.841823 0.225549
C 1.704940 -1.664555 -0.881191
C 2.759798 -2.571283 -0.807000
C -1.732668 0.486363 -0.727514
C 0.098953 3.073633 -0.150737
C 2.569697 3.568765 1.171584
C 0.387325 4.334739 0.364431
C 1.624952 4.581913 1.051156
C -2.791630 0.285376 -1.661276
C -2.052581 0.817191 0.619719
C 5.345024 -4.171684 1.505029
C -4.456157 0.780156 0.072460
C -4.130527 0.436972 -1.274211
C -3.395350 0.938647 1.013634
C -6.103375 -1.997348 1.500894
H 5.170975 -0.509828 0.617078
H 0.741887 -2.008828 -1.273368
H -0.293757 -0.277008 -2.000944
H 2.675499 -3.597101 -1.180178
H -0.842495 2.910752 -0.681307
H 3.537122 3.727224 1.657105
H -0.331531 5.151136 0.237171
H -2.555599 0.036313 -2.703070
H -1.254543 0.955326 1.354671
H 1.827743 5.577792 1.459233
H 5.498001 -3.372951 2.243375
H 4.358384 -4.648097 1.585082
H 6.162456 -4.906248 1.511350
H -4.942981 0.309175 -1.994973
H -3.629021 1.176934 2.059336
H -5.976678 1.365550 1.356757
H -6.185076 -1.639837 2.536361
H -6.678498 -2.917750 1.328691
H -5.065416 -2.082994 1.151179


