%chk=000121247.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121247

0 1
 S   -2.771000       1.687000      0.3852000    
 S    2.170300      0.6345000      -2.211400    
 P    2.482000      6.5399997E-02 -0.3723000    
 O    1.517600      -1.100700      0.2098000    
 O    3.952500     -0.5619000     -6.1500002E-02
 O    2.379600       1.201300      0.7881000    
 O   -4.622100      -2.264900      0.1427000    
 O   -4.697700     -7.5099997E-02  0.2776000    
 N   -4.056500      -1.149200      0.2108000    
 C   0.1488000      -1.099500      0.2108000    
 C   -1.935900      0.1057000      0.2862000    
 C  -0.5411000      0.1060000      0.2853000    
 C   -2.633100      -1.100100      0.2126000    
 C  -0.5406000      -2.305500      0.1371000    
 C   -1.935400      -2.305700      0.1380000    
 C    4.324200      -1.805400     -0.6323000    
 C    3.100000       2.414400      0.6517000    
 C   -2.153900       2.514600      -1.105600    
 C    5.728100      -2.153100     -0.1853000    
 C    2.830300       3.286600       1.859200    
 C   -2.746100       3.905700      -1.226700    
 H  -7.1999999E-03   1.046000      0.3658000    
 H  -3.9999999E-04  -3.246200      7.8599997E-02
 H   -2.437500      -3.268100      7.9099998E-02
 H    4.287300      -1.734100      -1.723200    
 H    3.625100      -2.581000     -0.3054000    
 H    2.777500       2.937000     -0.2531000    
 H    4.168900       2.193200      0.5731000    
 H   -2.421900       1.919200      -1.984500    
 H   -1.063400       2.594500      -1.067700    
 H    6.047400      -3.109700     -0.6083000    
 H    6.434800      -1.376100     -0.4948000    
 H    5.780800      -2.214300      0.9068000    
 H    3.371900       4.233700       1.786400    
 H    1.759500       3.497400       1.950600    
 H    3.133400       2.775600       2.779000    
 H   -2.369200       4.394000      -2.131600    
 H   -2.472600       4.534900     -0.3729000    
 H   -3.838500       3.872600      -1.299800    


%chk=000121247-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121247

0 1
S -3.122433 1.519282 -0.380531
S 2.107912 0.516181 -2.352183
P 2.413861 -0.041495 -0.391983
O 1.347336 -1.238537 0.315716
O 3.911621 -0.772091 0.012779
O 2.278654 1.165184 0.822688
O -4.839180 -2.529521 0.534916
O -5.017237 -0.294320 0.110091
N -4.312831 -1.367283 0.309532
C -0.059609 -1.190977 0.268416
C -2.196714 -0.006727 -0.007949
C -0.777279 -0.009605 0.007616
C -2.852449 -1.246886 0.278120
C -0.716569 -2.416277 0.537376
C -2.113862 -2.428496 0.546766
C 4.508315 -1.774964 -0.930218
C 3.096989 2.415247 0.684174
C -1.708301 2.737629 -0.788273
C 5.902471 -2.077155 -0.393302
C 2.543003 3.397919 1.709573
C -2.366424 4.057061 -1.219644
H -0.222766 0.912301 -0.169983
H -0.127547 -3.314353 0.736817
H -2.676146 -3.342513 0.753564
H 4.533824 -1.335979 -1.945625
H 3.861973 -2.671746 -0.933991
H 3.001386 2.793584 -0.352252
H 4.151414 2.154332 0.886576
H -1.096524 2.308909 -1.600289
H -1.088016 2.877706 0.114448
H 6.392714 -2.826969 -1.041183
H 6.524722 -1.166519 -0.380038
H 5.848399 -2.482467 0.630791
H 3.127683 4.335710 1.678161
H 1.486850 3.636800 1.497186
H 2.610021 2.978883 2.727326
H -1.586019 4.800606 -1.464036
H -2.997629 4.477691 -0.416827
H -2.995714 3.918554 -2.116225


