%chk=000008408.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008408

0 1
 S   -3.176400     -9.6600004E-02  8.1200004E-02
 O   -3.629000     -0.1614000      -1.488500    
 O   -3.443000      -1.407900      0.6543000    
 O   -3.755600       1.101300      0.6690000    
 N    3.318900       1.973900     -3.4299999E-02
 C    1.336500      0.5138000      4.4000000E-03
 C   0.8005000     -0.7959000      1.9400001E-02
 C   -1.446300      0.1369000      5.0299998E-02
 C  -0.5933000     -0.9671000      4.2199999E-02
 C    2.730200      0.6853000     -1.8700000E-02
 C   0.4631000       1.613600      1.2300000E-02
 C  -0.9192000       1.424900      3.5100002E-02
 C    1.674000      -1.895500      1.1100000E-02
 C    3.583300     -0.4186000     -2.6300000E-02
 C    3.056200      -1.706600     -1.1500000E-02
 H   -1.004900      -1.974500      4.6300001E-02
 H   0.8139000       2.640900     -3.0000001E-04
 H   -1.564100       2.299200      3.3000000E-02
 H    1.284500      -2.911400      2.2399999E-02
 H    4.662500     -0.2887000     -4.3900002E-02
 H    3.720600      -2.565800     -1.7600000E-02
 H    2.768200       2.818600     -3.0800000E-02
 H    4.327800       2.053500     -5.1300000E-02
 H   -3.240400     -0.9026000      -2.010200    


%chk=000008408-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008408

0 1
S -3.206355 -0.197803 0.072984
O -3.447612 -0.201245 -1.773208
O -3.542839 -1.676210 0.637861
O -3.962770 1.101635 0.674579
N 3.397283 1.996594 -0.068574
C 1.406266 0.527261 -0.001170
C 0.887252 -0.829278 0.050585
C -1.360795 0.084321 0.029958
C -0.532920 -1.026119 0.060695
C 2.845633 0.719801 -0.017164
C 0.482768 1.624116 -0.025666
C -0.899196 1.425048 -0.013655
C 1.776572 -1.949303 0.087447
C 3.689164 -0.412218 0.021060
C 3.156652 -1.728236 0.073179
H -0.950482 -2.037694 0.106690
H 0.842847 2.658236 -0.052982
H -1.607667 2.257792 -0.018039
H 1.366154 -2.963178 0.126417
H 4.776671 -0.271373 0.009229
H 3.847923 -2.577414 0.101269
H 2.826290 2.833236 -0.113945
H 4.406523 2.112784 -0.075319
H -4.429362 -0.301452 -1.944631


