%chk=000095067.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095067

0 1
 S   -1.014700      0.6574000      -1.036200    
 O   -1.257400       2.075900     -0.8494000    
 O   -1.135800      8.1299998E-02  -2.362800    
 N   -1.983900     -0.2416000      7.1199998E-02
 N    4.506300     -0.4536000      0.8716000    
 C   -1.776600      -1.710400      0.1402000    
 C   -2.231500      0.3481000       1.411600    
 C   0.6297000      0.3260000     -0.4679000    
 C   -3.067400      -2.390600      0.5492000    
 C   -3.471700       1.217500       1.366700    
 C    1.312600     -0.7610000     -0.9811000    
 C    1.195400       1.161800      0.4769000    
 C    2.607700      -1.021700     -0.5335000    
 C    2.490600      0.9013000      0.9244000    
 C    3.196700     -0.1905000      0.4193000    
 H   -1.491100      -2.091300     -0.8458000    
 H  -0.9741000      -1.952700      0.8451000    
 H   -2.339900     -0.4109000       2.191300    
 H   -1.374700      0.9533000       1.722400    
 H   -3.361100      -2.168300       1.578600    
 H   -3.893300      -2.092800     -0.1059000    
 H   -2.954600      -3.477300      0.4749000    
 H   -3.373300       2.039300      0.6520000    
 H   -4.348900      0.6293000       1.076800    
 H   -3.665600       1.651900       2.352500    
 H   0.8707000      -1.421600      -1.720400    
 H   0.6638000       2.016600      0.8825000    
 H    3.147400      -1.876100     -0.9341000    
 H    2.938900       1.556400       1.667100    
 H    5.018500      -1.245400      0.5063000    
 H    4.933600      0.1483000       1.562900    


%chk=000095067-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095067

0 1
S -1.086374 0.456062 -1.130869
O -1.445483 2.042146 -1.101894
O -1.161308 -0.426119 -2.500511
N -2.316862 -0.409781 0.077431
N 4.576496 -0.097181 1.007937
C -2.171351 -1.893067 -0.054248
C -2.155606 0.110318 1.473121
C 0.657233 0.279761 -0.451725
C -3.519056 -2.568982 0.269363
C -2.878215 1.449528 1.694976
C 1.403103 -0.864368 -0.795186
C 1.185119 1.309598 0.350786
C 2.714345 -0.989240 -0.305402
C 2.496682 1.181423 0.840302
C 3.279453 0.028101 0.524865
H -1.906815 -2.102885 -1.106555
H -1.364268 -2.295401 0.600293
H -2.605313 -0.664233 2.124420
H -1.083247 0.176154 1.771353
H -3.838954 -2.378240 1.309839
H -4.302681 -2.189185 -0.407073
H -3.430709 -3.663103 0.135179
H -2.462682 2.237865 1.046486
H -3.949617 1.344784 1.452373
H -2.782333 1.760971 2.752262
H 0.975785 -1.619596 -1.463111
H 0.588846 2.205334 0.554774
H 3.313471 -1.867531 -0.572568
H 2.926114 1.977492 1.459530
H 5.147057 -0.903551 0.770062
H 4.993468 0.631525 1.580190


