%chk=000031390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031390

0 1
 S   1.8100001E-02  -2.167000      0.1289000    
 O  -0.6023000      -3.275600     -0.5870000    
 O   0.4735000      -2.381600       1.497000    
 N    1.324000      -1.576800     -0.8275000    
 N   -3.805800       2.386100      8.5900001E-02
 C   -1.105500     -0.8307000      0.1169000    
 C    1.890000     -0.2996000     -0.4858000    
 C   -2.077700     -0.7460000     -0.8798000    
 C   -1.030200      0.1528000       1.103000    
 C   -2.899500       1.305700      9.6000001E-02
 C   -2.974700      0.3221000     -0.8902000    
 C   -1.927200       1.221000       1.092700    
 C    2.449200     -0.1106000      0.7722000    
 C    1.870400      0.7319000      -1.416900    
 C    2.997300       1.128400       1.104100    
 C    2.418500       1.970800      -1.084900    
 C    2.981900       2.169200      0.1755000    
 H    1.263200      -1.764600      -1.836900    
 H   -2.150100      -1.495900      -1.662400    
 H  -0.2892000      0.1052000       1.895400    
 H   -3.726600      0.3780000      -1.673200    
 H   -1.859400       1.980200       1.867600    
 H    2.501300     -0.9116000       1.502200    
 H    1.431800      0.5879000      -2.400500    
 H    3.441900       1.281100       2.083200    
 H    2.406000       2.781300      -1.807700    
 H    3.409800       3.133600      0.4334000    
 H   -4.511500       2.448100     -0.6359000    
 H   -3.751800       3.099100      0.8011000    


%chk=000031390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031390

0 1
S -0.030375 -2.117200 0.161168
O -0.606331 -3.357333 -0.720550
O 0.500546 -2.271529 1.687603
N 1.528595 -1.547685 -0.869709
N -4.167028 2.316464 0.075943
C -1.304564 -0.747890 0.142227
C 2.100975 -0.294726 -0.522765
C -2.283033 -0.758196 -0.870840
C -1.252472 0.247091 1.137665
C -3.218939 1.301845 0.098048
C -3.243401 0.266800 -0.888446
C -2.212346 1.272681 1.112526
C 2.730215 -0.155493 0.747962
C 2.109164 0.799540 -1.434948
C 3.355127 1.060604 1.088408
C 2.773066 1.997660 -1.097190
C 3.389628 2.138065 0.168548
H 1.202057 -1.620774 -1.850471
H -2.307623 -1.571479 -1.603819
H -0.492737 0.202418 1.924243
H -4.022336 0.268800 -1.659618
H -2.191606 2.053767 1.881042
H 2.726649 -1.006673 1.435242
H 1.610634 0.699911 -2.407775
H 3.837837 1.161730 2.066849
H 2.796759 2.825328 -1.814901
H 3.895846 3.072739 0.433107
H -4.895020 2.336418 -0.632658
H -4.163889 3.049618 0.779509


