%chk=000126148.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126148

1 1
 S   -1.013700       2.466200     -0.6059000    
 O    4.630000      5.3300001E-02  0.3901000    
 O    4.607400      -2.106100     -0.4694000    
 N    2.306800      0.2745000      0.3613000    
 N    3.531600      0.9890000      0.6671000    
 C   0.9879000      0.8967000      0.5188000    
 C   0.6020000       1.650700     -0.7447000    
 C   -2.093600       1.081800     -0.3010000    
 C    2.597400     -0.8805000     -8.1000000E-02
 C   -3.783500      -1.085900      0.1766000    
 C   -2.188900      5.2099999E-02  -1.237100    
 C   -2.843300       1.027700      0.8741000    
 C   -3.033900      -1.031700     -0.9983000    
 C   -3.688300     -5.6200001E-02   1.112800    
 C    4.069600      -1.087700     -9.4999999E-02
 C   -4.687700      -2.244100      0.4315000    
 H   0.2843000      8.8900000E-02  0.7459000    
 H    1.035700       1.559900       1.390300    
 H    1.340100       2.432500     -0.9589000    
 H   0.5972000      0.9847000      -1.615100    
 H    1.889600      -1.644700     -0.4166000    
 H    3.697100       1.705700     -3.9000001E-02
 H   -1.619800      7.5800002E-02  -2.162900    
 H   -2.781100       1.820100       1.615900    
 H   -3.099400      -1.827800      -1.735200    
 H   -4.265900     -8.8200003E-02   2.032900    
 H   -5.553200      -1.945000       1.032300    
 H   -5.076000      -2.656200     -0.5061000    
 H   -4.146700      -3.032700      0.9639000    


%chk=000126148-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126148

1 1
S -0.988709 2.462196 -0.663871
O 4.697066 0.105576 0.485987
O 4.849948 -2.046418 -0.607626
N 2.417776 0.299464 0.369473
N 3.574563 0.867068 0.916929
C 1.119223 1.017339 0.474298
C 0.661393 1.588504 -0.897485
C -2.071888 1.008535 -0.321170
C 2.686518 -0.879559 -0.212059
C -3.885321 -1.124580 0.190870
C -2.258399 -0.006071 -1.293311
C -2.795205 0.975242 0.897198
C -3.152206 -1.063645 -1.028727
C -3.694726 -0.084322 1.141356
C 4.116571 -1.152730 -0.218834
C -4.842491 -2.264781 0.465705
H 0.366414 0.301373 0.851311
H 1.238397 1.819433 1.222605
H 1.352036 2.355074 -1.286338
H 0.548565 0.783623 -1.641646
H 1.911418 -1.543420 -0.585907
H 3.712011 1.886295 0.797941
H -1.754573 0.052779 -2.265013
H -2.668661 1.773919 1.635537
H -3.308786 -1.836572 -1.789560
H -4.260364 -0.100386 2.079426
H -5.670979 -1.951825 1.123170
H -5.274931 -2.667902 -0.465678
H -4.322961 -3.101407 0.972719


