%chk=000113163.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113163

0 1
 S    4.460500       1.968400     -5.2999999E-02
 S    3.243700      -3.279900     -7.9400003E-02
 O    4.400000       2.636100       1.434300    
 O    3.392400      -3.699700       1.493700    
 O    5.730300       1.273600     -0.1637000    
 O    4.066100       2.972200      -1.023500    
 O    2.180800      -4.102100     -0.6393000    
 O    4.571500      -3.278800     -0.6738000    
 N   -2.557400      0.5529000     -4.4000000E-03
 N   -1.592800     -0.3691000     -1.7999999E-02
 N   -2.226400       1.845400      5.0000002E-04
 N   -7.924900     -0.9829000      2.7700000E-02
 C   0.8953000     -4.1999999E-03 -3.6300000E-02
 C    1.825700       1.076100     -3.7099998E-02
 C  -0.4776000      0.3826000     -2.2399999E-02
 C    3.190000      0.7514000     -5.0600000E-02
 C    1.328700      -1.344600     -4.8799999E-02
 C  -0.8844000       1.794200     -1.0400000E-02
 C    2.692200      -1.623600     -6.2199999E-02
 C    3.618100     -0.5810000     -6.2899999E-02
 C    1.397100       2.437700     -2.5200000E-02
 C   4.8500001E-02   2.845600     -1.1700000E-02
 C   -3.896800      0.1695000      3.1999999E-03
 C   -4.225100      -1.180800     -3.5000001E-03
 C   -4.889600       1.141900      1.7700000E-02
 C   -5.566300      -1.564400      4.3000001E-03
 C   -6.230700      0.7583000      2.5699999E-02
 C   -6.569000     -0.5949000      1.8999999E-02
 H   0.5973000      -2.148300     -4.0800001E-02
 H    4.675600     -0.8267000     -5.9400000E-02
 H    2.096500       3.265000      3.3399999E-02
 H  -0.2362000       3.890300      9.8999999E-03
 H   -3.475900      -1.967700     -1.4700000E-02
 H   -4.670100       2.206000      2.3499999E-02
 H    4.576600       2.019400       2.183300    
 H   -5.817700      -2.622000     -8.9999998E-04
 H   -7.003300       1.522900      3.7300002E-02
 H    2.558600      -3.671400       2.019400    
 H   -8.170700      -1.963900      2.1700000E-02
 H   -8.652400     -0.2805000      3.7099998E-02


%chk=000113163-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113163

0 1
S 4.636369 1.942887 -0.021490
S 3.162264 -3.410536 -0.104886
O 4.357831 2.492361 1.730505
O 3.334270 -3.584411 1.735143
O 6.036672 1.143539 -0.127632
O 4.367176 3.212190 -0.988621
O 1.927783 -4.322738 -0.611711
O 4.628394 -3.547055 -0.772347
N -2.653608 0.565516 -0.007629
N -1.632966 -0.367876 -0.024952
N -2.272864 1.894536 0.009868
N -8.090008 -0.974676 -0.011844
C 0.871883 0.033710 -0.029691
C 1.854025 1.107748 -0.014301
C -0.509056 0.425660 -0.018086
C 3.219421 0.688626 -0.023614
C 1.278945 -1.327727 -0.044964
C -0.896124 1.807921 0.002939
C 2.639030 -1.615693 -0.053754
C 3.653417 -0.634588 -0.037293
C 1.427417 2.493552 0.003159
C 0.083485 2.847626 0.013192
C -4.025366 0.175846 -0.008394
C -4.367311 -1.198855 -0.028575
C -5.037030 1.167427 0.010613
C -5.716645 -1.578902 -0.029532
C -6.385662 0.784526 0.009614
C -6.753072 -0.595887 -0.010538
H 0.530058 -2.126240 -0.064245
H 4.718045 -0.893922 -0.054831
H 2.187983 3.277539 -0.003210
H -0.223512 3.896932 0.025934
H -3.573817 -1.950108 -0.043804
H -4.752813 2.222556 0.025684
H 5.053114 3.180545 1.946288
H -5.977929 -2.643258 -0.045647
H -7.166161 1.553964 0.024128
H 3.730430 -4.485328 1.921749
H -8.355322 -1.955552 -0.027886
H -8.830547 -0.278852 0.000362


