%chk=000003540.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003540

0 1
 S   0.5924000      -1.479000      -1.163400    
 O    1.263500      -2.681500     -0.6972000    
 O  -6.3800000E-02  -1.475700      -2.460400    
 N    1.687500     -0.1717000      -1.094600    
 N    4.424700       1.112600       1.087300    
 N   -3.311300       2.179900     -0.5018000    
 C  -0.6086000      -1.016300      3.2699998E-02
 C   -1.500500      5.0999999E-02 -0.1619000    
 C    2.378000      0.1446000      0.1639000    
 C   -2.434200      0.3579000      0.8493000    
 C    3.719000      0.7934000     -0.1472000    
 C  -0.6433000      -1.765300       1.210300    
 C   -2.460300     -0.4022000       2.030300    
 C   -1.490800      0.8202000      -1.331100    
 C   -1.567100      -1.458700       2.206800    
 C   -3.304600       1.425400      0.6202000    
 C   -2.403900       1.857100      -1.447900    
 C    5.723200       1.708300      0.8048000    
 H    2.531500     -0.7677000      0.7507000    
 H    1.751300      0.8294000      0.7460000    
 H    1.551000      0.6137000      -1.742900    
 H    3.553800       1.706100     -0.7333000    
 H    4.317600      0.1118000     -0.7650000    
 H   3.6600001E-02  -2.592700       1.389600    
 H   -3.174800     -0.1764000       2.818500    
 H  -0.7976000      0.6921000      -2.150200    
 H   -1.591700      -2.041900       3.122900    
 H   -4.047900       1.714600       1.358100    
 H    4.555900      0.2638000       1.636900    
 H   -2.422700       2.481500      -2.335400    
 H    5.617600       2.641600      0.2422000    
 H    6.367000       1.022600      0.2443000    
 H    6.226600       1.947700       1.746600    


%chk=000003540-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003540

0 1
S 0.878791 -0.753316 -0.829964
O 1.860691 -1.844925 -0.109126
O 0.525958 -0.845649 -2.419614
N 1.534784 0.988451 -0.598177
N 5.035885 0.905732 0.936972
N -4.201749 1.604517 -0.728410
C -0.702311 -0.708555 0.220941
C -1.828432 0.081073 -0.170768
C 2.639389 1.106214 0.391884
C -2.968700 0.050557 0.726513
C 4.036938 0.700345 -0.129309
C -0.668538 -1.494253 1.366229
C -2.933679 -0.749200 1.913617
C -1.934031 0.884297 -1.352403
C -1.809508 -1.514475 2.227822
C -4.115761 0.843535 0.377092
C -3.106510 1.607381 -1.579611
C 6.442871 0.837920 0.494184
H 2.371180 0.497553 1.276562
H 2.660948 2.162296 0.720959
H 1.813665 1.263144 -1.561560
H 4.308901 1.358928 -0.979566
H 3.997068 -0.346007 -0.515615
H 0.224698 -2.089224 1.585798
H -3.810395 -0.755368 2.571786
H -1.118981 0.912037 -2.079410
H -1.787746 -2.132992 3.130243
H -4.991046 0.843453 1.039891
H 4.858445 0.285297 1.738336
H -3.216599 2.227869 -2.474602
H 6.645376 1.660720 -0.216201
H 6.722637 -0.118960 -0.008463
H 7.109859 0.977808 1.363067


