%chk=000003786.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003786

0 1
 S   1.8300001E-02  -2.797100      0.8761000    
 O    3.056500       1.276500      0.3556000    
 O    1.566000       3.520200      0.5518000    
 N    1.182400       2.463800     -0.2854000    
 C    1.235400     -0.9757000     -0.4662000    
 C   3.8999999E-03  -1.283200      7.3399998E-02
 C    1.538900      0.2656000      -1.220100    
 C   -1.226300     -0.5299000      4.7400001E-02
 C    2.199900      -1.994500     -0.2176000    
 C    1.671300      -3.043000      0.5025000    
 C   -2.134800     -0.7146000     -0.9948000    
 C   -1.507100      0.3831000       1.063800    
 C    2.021200       1.377200     -0.3003000    
 C   -3.324200      1.3600000E-02  -1.020400    
 C   -2.696400       1.111400       1.038200    
 C   -3.605000      0.9266000     -4.0000002E-03
 H    2.336300      8.4600002E-02  -1.951900    
 H   0.6699000      0.5946000      -1.801700    
 H    3.231000      -1.965500     -0.5469000    
 H    2.176700      -3.941500      0.8274000    
 H   -1.930900      -1.421200      -1.795900    
 H  -0.8088000      0.5409000       1.882500    
 H   -4.031400     -0.1296000      -1.832100    
 H   -2.914700       1.823000       1.829100    
 H   -4.530800       1.494000     -2.4200000E-02
 H   0.3883000       2.624100     -0.8943000    
 H    1.039000       3.312400       1.342000    


%chk=000003786-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003786

0 1
S 0.031329 -2.537596 1.423381
O 3.620285 0.993244 -0.916218
O 3.194936 3.367687 0.186517
N 2.096004 2.545192 -0.241785
C 1.014683 -0.737597 -0.260735
C -0.202557 -1.110769 0.316293
C 1.197003 0.457912 -1.188053
C -1.557943 -0.554038 0.147158
C 2.128853 -1.563041 0.155928
C 1.782926 -2.561366 1.046104
C -2.043453 -0.188310 -1.142501
C -2.426031 -0.387744 1.264552
C 2.387500 1.321820 -0.783600
C -3.339682 0.346758 -1.302423
C -3.724928 0.136789 1.100573
C -4.186717 0.514175 -0.182527
H 1.397311 0.116325 -2.222012
H 0.274915 1.064534 -1.216912
H 3.148690 -1.385094 -0.193486
H 2.415319 -3.313583 1.513785
H -1.419596 -0.369417 -2.024618
H -2.068835 -0.659828 2.264621
H -3.695041 0.614204 -2.303882
H -4.375318 0.256811 1.974106
H -5.195183 0.922923 -0.308626
H 1.193008 2.950162 -0.002508
H 3.977123 2.775647 -0.069133


