%chk=000075803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075803

0 1
 S    3.627500      0.2212000      8.9199997E-02
 O    3.865600       1.532000      0.6773000    
 O    4.283200     -0.9525000      0.6488000    
 O   -3.141000       1.412500      1.1800000E-02
 N   -2.222100     -0.7543000     -4.4000000E-03
 N    3.972100      0.2966000      -1.582700    
 C    1.905600     -6.5700002E-02  6.1500002E-02
 C  -0.8458000     -0.5245000      1.7400000E-02
 C    1.416500      -1.371900      3.7599999E-02
 C    1.018900       1.011200      6.3400000E-02
 C   4.0800001E-02  -1.601200      1.5500000E-02
 C  -0.3569000      0.7816000      4.1299999E-02
 C   -3.255400      0.1926000     -6.0999999E-03
 C   -4.597500     -0.4581000     -3.3000000E-02
 C   -5.711500      0.2807000     -3.7700001E-02
 H    2.088800      -2.225200      2.9200001E-02
 H    1.378800       2.036300      7.5099997E-02
 H  -0.3262000      -2.624300     -4.4999998E-03
 H  -0.9788000       1.665600      4.2599998E-02
 H   -2.490200      -1.736200     -2.0900000E-02
 H    4.211200       1.213600      -1.979300    
 H    4.494500     -0.4846000      -1.997400    
 H   -4.661200      -1.540700     -4.8700001E-02
 H   -6.682500     -0.2032000     -5.7300001E-02
 H   -5.694700       1.364600     -2.2600001E-02


%chk=000075803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000075803

0 1
S 3.713155 0.192875 0.048756
O 4.001447 1.663262 0.687978
O 4.393647 -1.181734 0.601929
O -3.217029 1.428627 -0.002236
N -2.289928 -0.736399 0.004355
N 4.169898 0.300807 -1.732516
C 1.859227 -0.067408 0.018463
C -0.900745 -0.461298 0.009629
C 1.376978 -1.386714 0.014189
C 1.019085 1.056590 0.030511
C -0.015456 -1.577661 0.010995
C -0.376568 0.862869 0.025991
C -3.365197 0.170185 -0.000653
C -4.702813 -0.501357 -0.002418
C -5.848112 0.227161 -0.004888
H 2.071713 -2.231884 0.038647
H 1.444511 2.064492 0.067296
H -0.417914 -2.598044 0.012383
H -1.064588 1.709447 0.036598
H -2.541689 -1.728039 0.004460
H 4.557001 1.243379 -1.907176
H 4.841234 -0.459233 -1.933903
H -4.738176 -1.600095 -0.000831
H -6.835143 -0.245972 -0.005634
H -5.794838 1.322243 -0.005824


