%chk=000031148.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031148

0 1
 S    3.362200     -0.1574000       1.772100    
 S    2.288600       3.181800       1.500000    
 P    2.779000       1.513500      0.5910000    
 O   -1.325100      -1.956100     -0.8550000    
 O    3.951700       1.738100     -0.5263000    
 O    1.601200      0.9962000     -0.4186000    
 O    2.963100      -1.151300      -1.499400    
 O  -0.1594000      -1.520600       1.110300    
 N   0.8243000      -2.668000     -0.6520000    
 C   -3.841800       2.201800     -9.8999999E-02
 C   -3.673700      0.7326000      9.2600003E-02
 C   -2.684900       3.012400      0.5155000    
 C   -4.019400       2.586200      -1.580300    
 C   -2.579500      7.6300003E-02 -0.4708000    
 C   -4.610800      1.4800000E-02  0.8355000    
 C   -2.422300      -1.298000     -0.2910000    
 C   -4.453800      -1.359500       1.015300    
 C   -3.359500      -2.015800      0.4520000    
 C    2.112200      -2.888700     -6.4099997E-02
 C    3.017600      -1.723800     -0.4096000    
 C    4.065200      -1.344300      0.6093000    
 C  -0.2125000      -2.001400     -1.7800000E-02
 C    5.233200       2.203800     -0.1369000    
 C    1.144300       1.827200      -1.472900    
 H   -4.756100       2.524600      0.4176000    
 H   -2.885600       4.086600      0.4394000    
 H   -2.558900       2.767900       1.576000    
 H   -1.733500       2.814500      1.1200000E-02
 H   -4.852500       2.033500      -2.028500    
 H   -4.235400       3.655900      -1.675800    
 H   -3.120500       2.373900      -2.169000    
 H   -1.841200      0.6210000      -1.053100    
 H   -5.469100      0.5103000       1.281400    
 H   -5.183500      -1.918600       1.593700    
 H   -3.242600      -3.086500      0.5951000    
 H    2.005200      -2.975600       1.020900    
 H    2.539800      -3.809600     -0.4686000    
 H    4.926300     -0.9068000      9.6000001E-02
 H    4.411000      -2.238600       1.135400    
 H   0.6620000      -3.008600      -1.594800    
 H    5.219300       3.294000     -6.3100003E-02
 H    5.536600       1.772100      0.8197000    
 H    5.956400       1.911000     -0.9021000    
 H   0.5247000       2.633600      -1.074800    
 H    1.983200       2.242800      -2.036200    
 H   0.5363000       1.221300      -2.149400    


%chk=000031148-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031148

0 1
S 5.084240 -0.220252 1.298917
S 5.327155 3.452206 0.777853
P 4.706177 1.646229 0.009987
O -1.513253 -1.821935 0.347494
O 5.326119 1.183466 -1.558390
O 3.041187 1.374910 -0.334396
O 2.853101 -3.351637 0.095951
O -0.347760 0.261743 0.295479
N 0.697240 -1.781636 0.775007
C -5.071046 1.781821 0.001336
C -4.603569 0.326196 -0.093593
C -4.871258 2.360172 1.427535
C -4.366545 2.672120 -1.057732
C -3.248337 -0.005358 0.172583
C -5.508806 -0.701291 -0.454347
C -2.831169 -1.348415 0.065594
C -5.073846 -2.044000 -0.551650
C -3.729978 -2.378096 -0.293175
C 2.029325 -1.212431 0.919183
C 3.096971 -2.145964 0.369884
C 4.492136 -1.579218 0.103491
C -0.376267 -0.986621 0.458898
C 6.758358 1.438188 -1.836026
C 2.155044 2.467553 -0.814074
H -6.158031 1.795980 -0.217378
H -5.260562 3.393853 1.484110
H -5.395644 1.749278 2.184265
H -3.799604 2.388176 1.698604
H -4.532595 2.284786 -2.079136
H -4.750435 3.708382 -1.011150
H -3.275321 2.705414 -0.882369
H -2.526502 0.767134 0.442499
H -6.556161 -0.450291 -0.659807
H -5.781956 -2.832333 -0.829447
H -3.366670 -3.407682 -0.359581
H 2.087551 -0.233169 0.407175
H 2.280403 -0.997971 1.981379
H 4.511933 -1.143136 -0.914488
H 5.240731 -2.387013 0.147442
H 0.589552 -2.799061 0.772982
H 7.006803 2.498614 -1.650852
H 7.399264 0.784899 -1.216124
H 6.881957 1.193680 -2.901223
H 2.292366 3.372546 -0.195798
H 2.366502 2.683493 -1.874847
H 1.142999 2.055172 -0.681165


