%chk=000038827.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038827

1 1
 S   -2.003900       1.490000      0.9174000    
 P   -3.422500      0.6648000     -0.3895000    
 O   -3.264200     -0.9461000     -0.4993000    
 O   -3.343300       1.323800      -1.741300    
 N    2.032000       1.541100      0.2407000    
 C   0.7443000       1.770500      0.9403000    
 C    2.377600      4.4799998E-02  4.7200002E-02
 C    1.983600       2.180500      -1.159800    
 C    3.181300       2.171900       1.049400    
 C  -0.4101000       1.224700      0.1159000    
 C    3.136500     -0.2572000      -1.023600    
 C    1.884700     -0.8045000      0.9689000    
 C    3.448100      -1.605700      -1.198300    
 C    2.196400      -2.152800      0.7944000    
 C    2.978000      -2.553400     -0.2893000    
 C   -5.050000      0.8838000      0.3302000    
 C   -3.323300      -1.765300      0.6544000    
 C   -3.145200      -3.211000      0.2424000    
 H   0.7850000       1.378300       1.962200    
 H   0.6300000       2.858600       1.047400    
 H    1.487600       3.153400      -1.063600    
 H    3.001000       2.380400      -1.511800    
 H    1.423700       1.550300      -1.858500    
 H    4.125000       2.001100      0.5221000    
 H    2.984500       3.245200       1.131400    
 H    3.201900       1.710200       2.041400    
 H  -0.4920000       1.728100     -0.8507000    
 H  -0.3311000      0.1535000     -8.1200004E-02
 H    3.561100      0.4350000      -1.736200    
 H    1.301500     -0.5427000       1.839400    
 H    4.064700      -1.917500      -2.036400    
 H    1.836500      -2.890700       1.505600    
 H    3.223600      -3.602800     -0.4232000    
 H   -5.096100      0.4920000       1.349500    
 H   -5.301800       1.947700      0.3676000    
 H   -5.804600      0.3741000     -0.2753000    
 H   -2.531300      -1.477500       1.351400    
 H   -4.291400      -1.643800       1.147100    
 H   -3.186400      -3.873300       1.111600    
 H   -3.924600      -3.509100     -0.4666000    
 H   -2.184100      -3.351600     -0.2634000    


%chk=000038827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038827

1 1
S -1.662143 -0.221491 2.249803
P -2.934411 0.883129 0.610310
O -3.406451 -0.371653 -0.485363
O -2.048629 1.961368 -0.176845
N 1.582634 1.141885 -0.109974
C 0.567982 0.991116 1.067584
C 2.678281 0.080699 -0.047747
C 0.794749 1.123541 -1.427097
C 2.227350 2.531334 0.015027
C -0.151243 -0.365144 1.098693
C 3.026186 -0.669579 -1.189930
C 3.368390 -0.097108 1.174010
C 4.070272 -1.619874 -1.098964
C 4.406782 -1.049270 1.251466
C 4.760283 -1.814361 0.116300
C -4.433705 1.527281 1.498704
C -4.218509 -1.542259 -0.012807
C -4.319657 -2.495058 -1.198148
H 1.119235 1.162469 2.004972
H -0.162703 1.802929 0.915396
H -0.102857 1.749522 -1.295542
H 1.436734 1.507846 -2.233171
H 0.474726 0.098955 -1.658616
H 2.966420 2.648995 -0.791222
H 1.437565 3.293607 -0.070546
H 2.729569 2.612606 0.989454
H -0.526640 -0.676765 0.111517
H 0.465609 -1.174597 1.518362
H 2.517838 -0.538976 -2.147729
H 3.119462 0.483964 2.067811
H 4.340101 -2.203386 -1.984489
H 4.937930 -1.188974 2.197861
H 5.566731 -2.551066 0.179509
H -4.927797 0.720953 2.062222
H -4.117613 2.322864 2.190727
H -5.125173 1.944345 0.748397
H -3.704766 -2.006399 0.851623
H -5.217523 -1.181520 0.299727
H -4.931911 -3.371351 -0.917183
H -4.797834 -1.999696 -2.059039
H -3.322563 -2.852082 -1.505161


