%chk=000046670.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046670

0 1
 S    4.436700     -0.3722000      8.3700001E-02
 O    5.245600      0.6993000      0.6485000    
 O    4.496700      -1.706200      0.6654000    
 N   -1.195800       1.426500     -1.1000000E-03
 N    4.767700     -0.4888000      -1.588800    
 N   -5.925900      0.5856000     -4.5699999E-02
 C   0.4009000     -0.3730000      3.7500001E-02
 C   7.9999998E-02  0.9949000      1.8200001E-02
 C   -1.981500     -0.8476000      1.5500000E-02
 C  -0.6550000      -1.290200      3.5900000E-02
 C   -2.209100      0.5388000     -2.7000001E-03
 C    2.771400      0.1484000      5.8600001E-02
 C    1.743400     -0.7896000      5.7700001E-02
 C    1.126900       1.912900      1.9600000E-02
 C    2.462100       1.502500      3.9500002E-02
 C   -3.061900      -1.747000      1.3100000E-02
 C   -3.527600      0.9856000     -2.2700001E-02
 C   -4.603800      9.4599999E-02 -2.5000000E-02
 C   -4.370800      -1.274600     -7.1999999E-03
 H  -0.4426000      -2.358500      5.0400000E-02
 H    1.972100      -1.853300      6.5899998E-02
 H   0.9100000       2.979600      3.4000000E-03
 H    3.240900       2.260000      3.3300001E-02
 H   -2.888700      -2.820800      2.7100001E-02
 H   -3.722800       2.057400     -3.6899999E-02
 H   -5.195300      -1.982200     -8.8000000E-03
 H    5.392700      0.2146000      -2.001300    
 H    4.878600      -1.428700      -1.988400    
 H   -6.095800       1.582400     -5.7999998E-02
 H   -6.705200     -5.9000000E-02 -4.6799999E-02


%chk=000046670-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046670

0 1
S 4.513888 -0.421240 0.057994
O 5.385646 0.688574 0.869700
O 4.528509 -2.006900 0.440393
N -1.238037 1.453873 -0.060387
N 5.056348 -0.221724 -1.693433
N -6.014077 0.607226 -0.028393
C 0.371657 -0.443914 0.027288
C 0.045731 0.981075 -0.036765
C -2.033929 -0.904048 0.048912
C -0.703787 -1.368567 0.071511
C -2.268568 0.542394 -0.020525
C 2.721385 0.128671 0.002289
C 1.746515 -0.852255 0.044540
C 1.122937 1.939574 -0.067110
C 2.451393 1.529424 -0.047318
C -3.174674 -1.782467 0.090704
C -3.608167 1.032978 -0.046232
C -4.701792 0.151125 -0.004864
C -4.463972 -1.279216 0.064915
H -0.497753 -2.444893 0.124386
H 2.022848 -1.911073 0.111531
H 0.851513 2.998458 -0.103430
H 3.277657 2.246558 -0.050700
H -3.008447 -2.865034 0.143984
H -3.747436 2.117630 -0.097802
H -5.324156 -1.959142 0.097617
H 5.990865 0.220572 -1.673707
H 5.054784 -1.146724 -2.154700
H -6.217656 1.601966 -0.075025
H -6.795326 -0.041502 0.004528


