%chk=000040860.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040860

0 1
 S   -3.935200      -2.238100      4.9699999E-02
 O    2.520900     -0.2349000     -2.4900001E-02
 O    6.012600     -8.8900000E-02 -1.7100001E-02
 O    4.618500      -1.788200     -9.9699996E-02
 O   -4.428100       2.421300     -7.5999998E-02
 N   -2.646300      2.0000001E-03 -7.8999996E-03
 N   -5.052200      0.1325000     -1.2600000E-02
 N    4.830700     -0.5417000     -3.9600000E-02
 C    1.615500      0.7772000      2.4499999E-02
 C   -1.745500      -1.023900      1.8800000E-02
 C   0.2215000      0.5401000      1.2500000E-02
 C  -0.3389000     -0.6954000      9.2000002E-03
 C    2.253800       1.994100      8.3700001E-02
 C    3.750800      0.3421000      3.1999999E-03
 C    3.640500       1.711500      6.9899999E-02
 C   -2.221200      -2.298200      5.1600002E-02
 C   -3.850700     -0.5247000      5.4000001E-03
 C   -5.246800       1.513400     -5.0600000E-02
 H  -0.4284000       1.412300      2.0000000E-02
 H   0.3330000      -1.553500      9.1000004E-03
 H    1.787500       2.968500      0.1311000    
 H    4.453500       2.423000      0.1046000    
 H   -1.688800      -3.239000      7.5700000E-02
 H   -5.877200     -0.4610000      3.1999999E-03
 H   -6.329500       1.727600     -5.6499999E-02


%chk=000040860-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040860

0 1
S -4.073363 -2.400151 -0.005417
O 2.520504 -0.259616 0.019867
O 6.081585 0.163091 0.028444
O 4.792965 -1.746516 0.025218
O -4.249119 2.460632 0.013733
N -2.679650 -0.093054 0.004628
N -5.083761 0.232730 -0.001445
N 4.938027 -0.459820 0.026261
C 1.562399 0.785937 0.017277
C -1.735389 -1.145760 0.004571
C 0.169019 0.441883 0.012842
C -0.314931 -0.846363 0.009143
C 2.236051 2.021189 0.019266
C 3.771721 0.367163 0.023225
C 3.639325 1.754516 0.023004
C -2.283120 -2.429060 -0.000451
C -3.912533 -0.527914 -0.000104
C -5.190371 1.643084 0.002753
H -0.544053 1.274000 0.012584
H 0.379988 -1.693773 0.009667
H 1.755644 2.997389 0.017923
H 4.460946 2.465606 0.025273
H -1.757974 -3.382068 -0.001571
H -5.968285 -0.281766 -0.005566
H -6.265623 1.936740 0.006173


