%chk=000038884.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038884

0 1
 S   3.9099999E-02  -2.464000     -3.7099998E-02
 O   0.6268000     -0.9660000      0.2589000    
 O  -0.4213000      -2.510200      -1.414200    
 O  -0.8652000      -2.821600       1.042200    
 N   -1.767900       2.360700      0.2441000    
 N   -1.464500     -1.7400000E-02 -6.9999998E-04
 N    1.446200      -3.475900      8.8799998E-02
 N   -3.581500      0.9605000     -0.2619000    
 C    1.868700       1.541900      0.8056000    
 C    2.675800       1.776400     -0.4732000    
 C   0.3975000       1.388200      0.5160000    
 C    4.169600       1.894700     -0.1715000    
 C  -0.4470000       2.465600      0.4982000    
 C  -0.1530000      0.1606000      0.2609000    
 C    4.981600       2.087300      -1.442300    
 C   -2.203200       1.108700      6.6000000E-03
 C   5.7500001E-02   3.846200      0.7625000    
 C   -4.186800     -0.3058000     -0.5321000    
 C    1.952500      -3.719700       1.465400    
 C    2.551900      -3.175100     -0.8587000    
 C   -5.676800     -0.1351000     -0.7575000    
 H    2.238000      0.6424000       1.315800    
 H    2.045800       2.352300       1.521700    
 H    2.332700       2.683300     -0.9844000    
 H    2.512000      0.9448000      -1.170800    
 H    4.347000       2.741200      0.5019000    
 H    4.518700      0.9915000      0.3426000    
 H    4.678700       2.999100      -1.966800    
 H    6.046300       2.170800      -1.202800    
 H    4.851900       1.239700      -2.123000    
 H  -0.7502000       4.578100      0.6489000    
 H   0.8447000       4.126600      5.7500001E-02
 H   0.4302000       3.934500       1.787700    
 H   -4.136400       1.808700     -0.2576000    
 H   -3.740500     -0.7601000      -1.424300    
 H   -4.031500     -0.9917000      0.3089000    
 H    1.160800      -4.139900       2.091600    
 H    2.320600      -2.790000       1.908900    
 H    2.769000      -4.448200       1.441500    
 H    2.167000      -3.092500      -1.878900    
 H    3.055500      -2.244700     -0.5807000    
 H    3.280500      -3.991700     -0.8502000    
 H   -6.145200      -1.102300     -0.9644000    
 H   -5.873100      0.5283000      -1.606600    
 H   -6.161500      0.2978000      0.1241000    


%chk=000038884-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038884

0 1
S -0.746235 -2.389096 -0.099513
O 1.275581 -0.743290 0.304544
O -1.217153 -2.548561 -1.644850
O -1.740699 -2.793190 1.119863
N -1.622856 2.168907 0.406859
N -0.941729 -0.089317 0.102871
N 0.662638 -3.681138 0.054433
N -3.232673 0.564614 -0.130176
C 2.197605 1.951289 0.860777
C 3.024986 2.020142 -0.454162
C 0.744048 1.596576 0.633230
C 4.512369 2.354359 -0.202784
C -0.324354 2.525332 0.646951
C 0.396618 0.219765 0.349065
C 5.340205 2.407632 -1.504959
C -1.926271 0.863813 0.124884
C -0.100078 3.995243 0.952602
C -3.783693 -0.757347 -0.490916
C 1.216611 -3.680934 1.422445
C 1.649285 -3.508334 -1.028889
C -5.255889 -0.612255 -0.906470
H 2.657843 1.187631 1.517390
H 2.273399 2.921410 1.387387
H 2.582014 2.779179 -1.131055
H 2.944902 1.044583 -0.971675
H 4.587012 3.327095 0.325975
H 4.943457 1.594595 0.480909
H 4.947536 3.179369 -2.193730
H 6.401143 2.643799 -1.302212
H 5.304238 1.437398 -2.035089
H -1.045923 4.543641 0.830207
H 0.659149 4.432231 0.279705
H 0.256721 4.135340 1.989659
H -3.866955 1.361262 -0.044656
H -3.188684 -1.184746 -1.319530
H -3.687821 -1.453534 0.364103
H 0.389280 -3.736266 2.147336
H 1.844244 -2.787342 1.619388
H 1.839082 -4.590296 1.521314
H 1.120295 -3.452313 -1.993010
H 2.275913 -2.604963 -0.881957
H 2.296703 -4.405705 -1.024672
H -5.665484 -1.601339 -1.172899
H -5.363707 0.048482 -1.786149
H -5.871674 -0.205719 -0.081942


