%chk=000022704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022704

0 1
 S   -2.080900       1.590700      5.0000002E-04
 O    3.879900     -0.6048000      1.9999999E-04
 O    3.335900       1.522000     -5.0000002E-04
 N   -2.442600     -0.9629000     -6.9999998E-04
 N    3.019600      0.3081000      9.9999997E-05
 N   -4.418100      0.3312000       0.000000    
 C  -0.6768000      0.5900000     -1.9999999E-04
 C   -1.071500     -0.7513000     -3.0000001E-04
 C   0.6765000      0.9648000     -9.9999997E-05
 C    1.643100     -4.4100001E-02  9.9999997E-05
 C  -7.4299999E-02  -1.751000      9.9999997E-05
 C    1.274900      -1.384900      3.0000001E-04
 C   -3.065700      0.1923000      3.0000001E-04
 H   0.9377000       2.019200      9.9999997E-05
 H  -0.3514000      -2.801400      1.9999999E-04
 H    2.012100      -2.184400      3.9999999E-04
 H   -4.861800       1.243700      3.0000001E-04
 H   -5.037700     -0.4723000     -6.9999998E-04


%chk=000022704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022704

0 1
S -2.098463 1.746048 -0.000009
O 3.937516 -0.670474 -0.000039
O 3.403685 1.548105 -0.000055
N -2.457832 -0.949127 -0.000060
N 3.077010 0.295209 0.000148
N -4.492256 0.290936 -0.000118
C -0.650724 0.640343 0.000012
C -1.076207 -0.735704 -0.000019
C 0.698143 1.004269 0.000080
C 1.643153 -0.050890 0.000100
C -0.095455 -1.759557 0.000052
C 1.265909 -1.417944 0.000085
C -3.128952 0.192982 -0.000130
H 1.050727 2.037978 0.000102
H -0.421250 -2.802908 0.000053
H 2.048490 -2.180267 0.000108
H -4.970108 1.187455 -0.000095
H -5.034485 -0.571555 -0.000114


