%chk=000077725.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077725

0 1
 S    4.172100     -0.3802000      6.0699999E-02
 O  -0.7715000      -2.568700      2.0800000E-02
 O   -1.843500       2.665200     -9.4999997E-03
 O    4.438300      -1.022200      -1.417100    
 O    4.988100      0.8184000      0.1607000    
 O    4.281200      -1.442600       1.045300    
 N    1.787700      -2.185600      4.3000001E-02
 N   0.6813000       3.324000      1.3800000E-02
 C   0.1208000     -0.3709000      2.1500001E-02
 C  -0.1605000      0.9969000      1.4100000E-02
 C    1.450000     -0.8104000      3.5500001E-02
 C   -2.373000     -0.8838000     -1.6000000E-03
 C    2.491300      0.1182000      4.2300001E-02
 C   -2.654200      0.4840000     -9.2000002E-03
 C   0.8876000       1.925300      2.1299999E-02
 C  -0.9751000      -1.361200      1.4100000E-02
 C   -1.558200       1.474400     -2.0999999E-03
 C    2.210700       1.483100      3.5200000E-02
 C   -3.420900      -1.812200     -8.9999996E-03
 C   -3.983400      0.9234000     -2.4000000E-02
 C   -4.744000      -1.370000     -2.4300000E-02
 C   -5.024700     -5.1000002E-03 -3.1500001E-02
 H    3.010100       2.219500      3.7599999E-02
 H   -3.231500      -2.882200     -3.5000001E-03
 H   -4.231200       1.981400     -3.0099999E-02
 H    2.750200      -2.490400      2.2500001E-02
 H    1.063500      -2.889600      3.8400002E-02
 H    1.475000       3.951300      2.1700000E-02
 H  -0.2522000       3.709300      6.6000000E-03
 H   -5.556700      -2.090700     -3.0300001E-02
 H   -6.055800      0.3365000     -4.3200001E-02
 H    4.320100     -0.4027000      -2.175300    


%chk=000077725-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077725

0 1
S 4.269282 -0.303353 -0.005761
O -0.796986 -2.662403 0.081483
O -1.899701 2.757385 -0.036246
O 4.366597 -0.482523 -1.850959
O 5.169504 0.956907 0.451605
O 4.537865 -1.769156 0.648686
N 1.743634 -2.207507 0.125980
N 0.614281 3.336402 -0.005399
C 0.074679 -0.397635 0.041308
C -0.217748 1.015072 0.006437
C 1.441247 -0.877600 0.066557
C -2.419727 -0.896735 0.023032
C 2.453563 0.146585 0.045674
C -2.708297 0.496783 -0.009744
C 0.849349 1.982409 0.011067
C -1.018461 -1.387224 0.050656
C -1.613124 1.494897 -0.015812
C 2.199279 1.506540 0.017941
C -3.483972 -1.834519 0.028723
C -4.056666 0.937256 -0.035913
C -4.818924 -1.389980 0.002526
C -5.106568 0.000582 -0.029796
H 3.036983 2.213639 0.009698
H -3.232687 -2.898889 0.053958
H -4.246729 2.014368 -0.060493
H 2.714931 -2.513996 0.248347
H 0.927424 -2.846968 0.128056
H 1.387074 3.998811 -0.005024
H -0.379669 3.626322 -0.021003
H -5.637948 -2.117046 0.007265
H -6.146600 0.343162 -0.050016
H 5.289712 -0.799189 -2.078432


