%chk=000075869.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075869

1 1
 S    2.983900      0.9039000     -7.5800002E-02
 O   -2.927000      -1.684000      3.9000001E-02
 O    2.931000       1.604900       1.397100    
 O    4.255000      0.2089000     -0.1772000    
 O    2.585800       1.887600      -1.065900    
 N   -3.734200      0.9494000      1.0100000E-02
 N   -4.795500       1.201500      2.0199999E-02
 C   0.3495000      1.2900000E-02 -2.8600000E-02
 C  -0.6093000      -1.027600     -8.9999998E-04
 C    1.715600     -0.3122000     -4.1499998E-02
 C   -1.975500     -0.7023000      1.1800000E-02
 C  -8.6000003E-02   1.348100     -4.3000001E-02
 C  -0.1737000      -2.362600      1.3300000E-02
 C    2.130700      -1.644100     -2.6799999E-02
 C    1.187700      -2.667400      5.0000002E-04
 C   -2.390500      0.6298000     -2.4000001E-03
 C   -1.447500       1.653100     -2.9999999E-02
 H   0.5808000       2.200600     -1.4800000E-02
 H  -0.8638000      -3.201500      1.7700000E-02
 H    3.178800      -1.927000     -3.3599999E-02
 H    1.511400      -3.704300      8.6000003E-03
 H   -1.763600       2.693100     -3.0800000E-02
 H   -2.593200      -2.460000      0.5159000    
 H    3.111100       1.004800       2.158600    


%chk=000075869-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000075869

1 1
S 3.106137 0.867788 -0.065128
O -3.086857 -1.623984 0.074256
O 2.803095 1.378474 1.685083
O 4.497195 0.067443 -0.210342
O 2.743684 2.106658 -1.036999
N -3.746521 0.923698 0.066511
N -4.881797 1.164055 0.089736
C 0.330582 -0.009712 -0.011722
C -0.647072 -1.089425 0.013520
C 1.696042 -0.412622 -0.027152
C -2.039156 -0.744737 0.042426
C -0.098442 1.370068 -0.020311
C -0.213923 -2.457170 0.015753
C 2.119933 -1.738539 -0.020578
C 1.143200 -2.778257 -0.005130
C -2.412172 0.635414 0.038185
C -1.439008 1.699078 0.005086
H 0.648659 2.166386 -0.064943
H -0.935560 -3.283155 0.030647
H 3.191466 -1.969847 -0.032762
H 1.465890 -3.822623 -0.004646
H -1.773147 2.739796 -0.002697
H -2.842721 -2.583453 0.082793
H 3.531994 2.000268 1.979911


