%chk=000039031.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039031

0 1
 S    2.260000     -1.0700000E-02  -1.969900    
 S   -4.053800      -1.435100     -0.3254000    
 O    1.278900     -0.9094000       2.208000    
 O    5.789400      0.7952000      0.9080000    
 O    5.353400      -1.017700     -0.4033000    
 O   -1.494900      -1.893700       1.185800    
 O   -3.662700      -2.838400      -1.058200    
 O   -5.083200     -0.7719000      -1.102800    
 O   -4.210500      -1.678000       1.096200    
 N    2.824500     -0.9194000      0.4258000    
 N  -0.1773000      -1.252100     -0.6121000    
 C    2.373000      -1.461900     -0.8564000    
 C    2.927500       1.185500     -0.7097000    
 C    3.535000      0.3387000      0.4312000    
 C    1.071500      -1.871000     -0.1474000    
 C    1.675100      -1.202300       1.103000    
 C    3.932200       2.121200      -1.389800    
 C    1.741400       2.018400     -0.1950000    
 C    4.968500     -5.7799999E-02  0.2478000    
 C   -1.373200      -1.317900      0.1068000    
 C   -2.515200     -0.6046000     -0.5910000    
 C   -2.695400      0.8239000     -0.1388000    
 C   -3.201200       1.759900      -1.027500    
 C   -2.351700       1.175200       1.157300    
 C   -3.367400       3.080300     -0.6096000    
 C   -2.518000       2.495500       1.575200    
 C   -3.025800       3.448000      0.6917000    
 H    2.990900      -2.287300      -1.220600    
 H    3.404100      0.8100000       1.412400    
 H   0.9597000      -2.955800     -3.2299999E-02
 H    3.452400       2.729700      -2.165800    
 H    4.370400       2.813300     -0.6614000    
 H    4.754100       1.575400      -1.866300    
 H    1.266100       2.588500      -1.002200    
 H   0.9680000       1.404000      0.2769000    
 H    2.079500       2.742200      0.5559000    
 H  -0.1793000     -0.7427000      -1.492600    
 H   -2.340700     -0.6242000      -1.674700    
 H    6.733600      0.5524000      0.7998000    
 H   -3.467500       1.486200      -2.044400    
 H   -1.968000      0.4629000       1.879100    
 H   -3.591500      -2.798600      -2.041000    
 H   -3.762000       3.822100      -1.297600    
 H   -2.255000       2.781800       2.589400    
 H   -3.155500       4.476000       1.017400    


%chk=000039031-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039031

0 1
S 2.056483 -0.790739 -1.520052
S -2.314423 -0.066832 -1.572851
O 2.617998 2.137278 1.774761
O 6.596098 -0.721597 -0.177380
O 4.939725 -2.261879 0.368297
O -1.480763 -0.065606 2.381372
O -0.821841 1.101315 -2.048379
O -3.558079 0.295045 -2.544545
O -1.719593 -1.579131 -1.612638
N 3.201073 -0.018373 0.797987
N -0.071287 0.597997 0.633359
C 2.068913 -0.885196 0.392819
C 3.741040 0.206578 -1.585979
C 4.337725 0.097260 -0.110082
C 1.110864 0.046938 1.236992
C 2.376705 0.987514 1.376043
C 4.627031 -0.433908 -2.670920
C 3.437735 1.686627 -1.904653
C 5.272359 -1.098914 0.065700
C -1.307639 0.488394 1.250175
C -2.422394 1.131436 0.451209
C -3.820362 1.135686 0.839236
C -4.700589 2.027957 0.142788
C -4.361562 0.262627 1.838886
C -6.071163 2.061327 0.447455
C -5.734302 0.306461 2.136461
C -6.591543 1.200958 1.446275
H 2.139585 -1.942041 0.677378
H 4.896480 1.021650 0.113403
H 0.823829 -0.409952 2.200752
H 4.169138 -0.295693 -3.665816
H 5.621512 0.049482 -2.683170
H 4.758585 -1.516763 -2.507485
H 2.857430 1.769350 -2.839589
H 2.858877 2.174525 -1.101866
H 4.383218 2.247796 -2.037464
H -0.043022 0.955491 -0.344900
H -2.090582 1.992585 -0.148452
H 7.195142 -1.512100 -0.083658
H -4.296387 2.680313 -0.639652
H -3.686305 -0.406923 2.376938
H -0.194819 0.564958 -2.616576
H -6.736334 2.743977 -0.090464
H -6.144117 -0.354977 2.906676
H -7.661038 1.224894 1.683504


