%chk=000127663.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127663

0 1
 S   -4.308800     -0.8148000     -0.6013000    
 O   0.6015000      -2.500300      0.1657000    
 O    3.776500       1.997200     -0.1584000    
 N   -2.605000      0.8669000      0.3215000    
 N   -1.520400     -0.8911000     -0.4863000    
 C   -3.836900       1.549600      0.6428000    
 C   -4.939100      0.8650000     -0.1751000    
 C   -2.688100     -0.3456000     -0.2782000    
 C  -0.6407000      5.1399998E-02  1.7300000E-02
 C   -1.302100       1.156300      0.5273000    
 C   0.7810000     -0.1072000      1.0600000E-02
 C    1.367800      -1.374900      8.5000001E-02
 C    1.597900       1.025100     -7.1300000E-02
 C    2.986400      0.8915000     -7.8800000E-02
 C    2.756400      -1.508300      7.7500001E-02
 C    3.565600     -0.3751000     -4.3000001E-03
 C    1.289200      -3.746800      0.2376000    
 C    3.118800       3.261100     -0.2318000    
 H   -3.739100       2.610500      0.3965000    
 H   -4.003400       1.432600       1.718900    
 H   -5.882100      0.8063000      0.3754000    
 H   -5.112200       1.406700      -1.111000    
 H  -0.9733000       2.068700       1.006000    
 H    1.118300       1.994900     -0.1473000    
 H    3.280200      -2.456200      0.1321000    
 H    4.646800     -0.4840000     -9.7000003E-03
 H    1.871600      -3.941400     -0.6696000    
 H   0.5267000      -4.530800      0.2964000    
 H    1.892400      -3.825100       1.148600    
 H    2.534000       3.465100      0.6717000    
 H    2.521600       3.352400      -1.145500    
 H    3.899100       4.027600     -0.2846000    


%chk=000127663-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127663

0 1
S -4.420061 -0.666911 -1.062704
O 0.604323 -2.481729 0.333273
O 3.924650 2.042691 -0.263123
N -2.716299 0.832733 0.372810
N -1.528870 -0.729183 -0.783148
C -4.011851 1.346125 0.838261
C -5.017167 0.983933 -0.288204
C -2.738603 -0.230680 -0.530142
C -0.649933 0.048897 0.022920
C -1.377725 1.013447 0.741713
C 0.818705 -0.108244 0.008875
C 1.450184 -1.381534 0.132151
C 1.634755 1.046984 -0.118864
C 3.045182 0.947714 -0.136827
C 2.864863 -1.476116 0.091862
C 3.658714 -0.320773 -0.040779
C 1.217893 -3.806877 0.390390
C 3.325072 3.369033 -0.391956
H -3.977364 2.438798 0.990726
H -4.293675 0.860572 1.792879
H -6.034996 0.830169 0.097739
H -5.017650 1.741177 -1.087117
H -1.057673 1.758699 1.463710
H 1.135302 2.012634 -0.242449
H 3.359762 -2.447762 0.175610
H 4.750470 -0.385015 -0.073993
H 1.760180 -4.042730 -0.546442
H 0.375772 -4.503659 0.514532
H 1.909273 -3.901391 1.252093
H 2.716023 3.627550 0.497478
H 2.697092 3.444473 -1.301970
H 4.174251 4.064276 -0.471603


