%chk=000034051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034051

0 1
 S   -1.017000      -3.775700       1.104800    
 O  -0.2906000      -1.275400       1.460000    
 N   -1.549400      -1.643700     -0.5761000    
 C    4.857100      0.4958000     -0.9330000    
 C    3.759100     -0.5066000      -1.319500    
 C    4.153900       1.686400     -0.2639000    
 C    2.729700     -0.2269000     -0.2706000    
 C    2.953900       1.018000      0.3287000    
 C    1.645100      -1.008400      9.0000004E-02
 C    2.098000       1.507300       1.301000    
 C   0.7836000     -0.5286000       1.078900    
 C    1.008400      0.7202000       1.680000    
 C   -2.043100     -0.2864000     -0.6351000    
 C  -0.9726000      -2.181700      0.5869000    
 C   -2.524400      0.2783000      0.5171000    
 C   -2.999400       1.588500      0.4600000    
 C   -2.002500      0.3649000      -1.840300    
 C   -1.604400      -2.431600      -1.814000    
 C   -2.976100       2.287000     -0.7472000    
 C   -2.477600       1.675000      -1.897300    
 C   -3.531800       2.243600       1.689700    
 H    5.466900      0.7985000      -1.790000    
 H    5.533500      2.4200000E-02 -0.2064000    
 H    4.127300      -1.535500      -1.282500    
 H    3.354300     -0.2868000      -2.312700    
 H    3.843500       2.430100      -1.005000    
 H    4.791300       2.152400      0.4926000    
 H    1.493600      -1.968600     -0.3911000    
 H    2.263000       2.476900       1.758300    
 H   0.3259000       1.085100       2.443700    
 H   -2.586800     -0.2627000       1.456100    
 H   -1.606200     -6.8499997E-02  -2.751200    
 H   -1.463100      -3.498300      -1.628200    
 H  -0.7926000      -2.112900      -2.475700    
 H   -2.576500      -2.301700      -2.300400    
 H   -3.343800       3.308000     -0.8055000    
 H   -2.455700       2.220600      -2.836300    
 H   -3.459000       3.334500       1.624300    
 H   -4.582300       1.972800       1.834900    
 H   -2.962000       1.937000       2.573500    


%chk=000034051-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034051

0 1
S 0.377037 -2.961224 -0.005252
O -0.164953 -0.258027 0.021515
N -1.927033 -1.587065 -0.580989
C 5.897552 0.403865 -0.431149
C 4.687059 0.353771 -1.416416
C 5.343144 1.091536 0.856495
C 3.484943 0.317652 -0.481174
C 3.860560 0.739738 0.823234
C 2.155336 -0.043671 -0.765271
C 2.904483 0.801698 1.856007
C 1.217580 0.012349 0.287417
C 1.564734 0.429167 1.586344
C -2.728749 -0.392126 -0.777602
C -0.600831 -1.576143 -0.195068
C -2.895981 0.554832 0.258892
C -3.713834 1.696005 0.073843
C -3.399251 -0.216980 -2.013235
C -2.552378 -2.898609 -0.877402
C -4.383989 1.860507 -1.165825
C -4.227801 0.909593 -2.198964
C -3.855837 2.726302 1.181193
H 6.771373 0.929277 -0.854146
H 6.208897 -0.628594 -0.186310
H 4.728922 -0.512065 -2.101139
H 4.655504 1.266089 -2.046859
H 5.478625 2.191415 0.803054
H 5.850697 0.747587 1.775621
H 1.843113 -0.376108 -1.760086
H 3.187182 1.123852 2.864585
H 0.798681 0.447995 2.367325
H -2.376772 0.404286 1.210324
H -3.262281 -0.945829 -2.819288
H -2.357237 -3.596937 -0.046387
H -2.127115 -3.346512 -1.793867
H -3.636078 -2.748508 -0.996100
H -5.028068 2.734339 -1.319623
H -4.747098 1.048503 -3.153628
H -4.763991 3.339607 1.049357
H -3.906391 2.249128 2.176183
H -2.988554 3.414403 1.192893


