%chk=000019226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019226

0 1
 S    4.079800      9.3099996E-02 -0.3495000    
 O   -4.350800      4.7300000E-02  -1.245200    
 O    4.900500     -0.3907000      0.7516000    
 O    4.332200     -0.3834000      -1.702600    
 N   -2.596400     -0.1049000      0.2721000    
 C   -2.416000       1.333300      0.4523000    
 C   -1.691200     -0.9483000       1.042200    
 C  -0.2496000     -0.6879000      0.6942000    
 C   -3.678800       1.956700       1.032500    
 C   -2.030000       1.993100     -0.8657000    
 C   -3.567800     -0.6345000     -0.5783000    
 C   0.1225000     -0.5757000     -0.6381000    
 C   0.6868000     -0.5634000       1.711000    
 C    2.407900     -0.2070000      5.3399999E-02
 C    1.458000     -0.3340000     -0.9600000    
 C    2.022300     -0.3217000       1.389000    
 C   -3.641800      -2.138200     -0.6673000    
 C    4.212400       1.866400     -0.3918000    
 H   -1.611800       1.514600       1.175300    
 H   -1.878500      -2.017000      0.9261000    
 H   -1.880900     -0.7175000       2.098500    
 H   -3.502300       3.007900       1.286200    
 H   -4.524700       1.930300      0.3393000    
 H   -3.983200       1.439600       1.949300    
 H   -1.109700       1.592800      -1.290800    
 H   -1.862600       3.065100     -0.7079000    
 H   -2.808400       1.905800      -1.629100    
 H  -0.5949000     -0.7020000      -1.443700    
 H   0.3980000     -0.6504000       2.754500    
 H    1.736500     -0.2490000      -2.006700    
 H    2.743600     -0.2197000       2.194900    
 H   -4.430400      -2.417000      -1.373900    
 H   -2.700200      -2.548500      -1.041500    
 H   -3.898900      -2.566600      0.3050000    
 H    3.952800       2.265200      0.5907000    
 H    5.245300       2.123200     -0.6366000    
 H    3.540100       2.254900      -1.159100    


%chk=000019226-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019226

0 1
S 4.314031 -0.147435 -0.369349
O -4.436651 -0.048719 -1.268490
O 5.159442 -0.728182 0.906764
O 4.485333 -0.737948 -1.886193
N -2.652763 -0.025874 0.229958
C -2.739011 1.464958 0.426133
C -1.699515 -0.731721 1.105223
C -0.227489 -0.523795 0.734889
C -4.054227 1.858425 1.139600
C -2.527813 2.248893 -0.888881
C -3.543040 -0.681520 -0.621348
C 0.173339 -0.450096 -0.623573
C 0.755790 -0.469981 1.754898
C 2.472915 -0.262025 0.077562
C 1.536960 -0.324942 -0.967166
C 2.126119 -0.343235 1.434633
C -3.416747 -2.202788 -0.764070
C 4.675896 1.732058 -0.463452
H -1.892205 1.706519 1.098907
H -1.919632 -1.812816 1.084657
H -1.858411 -0.406126 2.153269
H -4.049934 2.940587 1.365120
H -4.918248 1.634780 0.493665
H -4.171377 1.309534 2.092399
H -1.564470 1.980615 -1.357925
H -2.514523 3.332737 -0.671415
H -3.342601 2.038071 -1.598460
H -0.586110 -0.488793 -1.411956
H 0.452624 -0.534217 2.806972
H 1.870691 -0.308483 -2.010383
H 2.904355 -0.336417 2.205367
H -4.066428 -2.500999 -1.600171
H -2.385187 -2.536089 -0.977530
H -3.767677 -2.727017 0.144774
H 4.459971 2.151613 0.528512
H 5.742702 1.798134 -0.719025
H 4.033692 2.144192 -1.253616


