%chk=000021157.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021157

0 1
 S    1.103500      0.4329000     -0.3045000    
 O    1.089900      0.1155000      -1.725100    
 O   -4.249000       1.442900      0.4610000    
 O   -4.994600     -0.4375000     -0.5670000    
 N    1.146200       1.865500      0.2812000    
 N   -2.855200      -1.863400      9.6500002E-02
 C  -0.2876000     -0.3775000      0.4200000    
 C    2.482400     -0.4459000      0.3998000    
 C   -1.597800      0.2359000     -6.1799999E-02
 C    3.806900      0.1061000     -0.1043000    
 C   -2.822000     -0.4707000      0.5354000    
 C    4.988200     -0.6618000      0.4855000    
 C    6.315700     -8.9299999E-02  1.4900000E-02
 C   -4.126900      0.1473000      6.8400003E-02
 H  -0.2149000      -1.433700      0.1417000    
 H  -0.1971000     -0.2970000       1.508200    
 H    2.370700      -1.499100      0.1219000    
 H    2.410200     -0.3619000       1.489100    
 H   -1.647300      0.2126000      -1.158700    
 H   -1.632100       1.297400      0.2113000    
 H    3.843000      5.0200000E-02  -1.199200    
 H    3.895100       1.167200      0.1578000    
 H   -2.798600     -0.4418000       1.630100    
 H    4.927700      -1.717600      0.1965000    
 H    4.949200     -0.6222000       1.580300    
 H   0.3125000       2.425900      8.4899999E-02
 H    6.421900      0.9569000      0.3190000    
 H    7.147000     -0.6547000      0.4476000    
 H    6.400800     -0.1409000      -1.075200    
 H   -2.915100      -1.913000     -0.9198000    
 H   -3.685400      -2.327000      0.4630000    
 H   -5.098700       1.835100      0.1668000    


%chk=000021157-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021157

0 1
S 0.962435 1.481751 0.378065
O 0.511152 1.315031 -1.226510
O -4.417963 -0.425302 -0.108312
O -3.278001 -1.695343 -1.685207
N 1.900534 2.785953 0.951624
N -0.768095 -1.199544 -0.362004
C -0.746364 1.196201 1.417085
C 2.079728 0.011164 0.884289
C -1.897134 0.843829 0.483271
C 3.275173 -0.073577 -0.065475
C -2.013638 -0.680325 0.210764
C 4.176237 -1.283757 0.290210
C 5.380767 -1.401476 -0.668648
C -3.254237 -0.990493 -0.655331
H -0.476743 0.409252 2.140440
H -0.852853 2.173081 1.916539
H 1.388656 -0.846801 0.812331
H 2.358746 0.251701 1.923057
H -1.751666 1.372821 -0.480915
H -2.847274 1.200429 0.919259
H 2.912200 -0.173006 -1.106749
H 3.859510 0.863529 -0.007613
H -2.212211 -1.183149 1.182543
H 3.578185 -2.216515 0.251760
H 4.539761 -1.182462 1.332569
H 1.434236 3.670822 0.630225
H 6.006751 -0.490699 -0.632348
H 6.019931 -2.263477 -0.404313
H 5.043747 -1.536051 -1.713240
H -0.365436 -0.556342 -1.066053
H -0.852929 -2.160407 -0.712682
H -5.204604 -0.680437 -0.663328


