%chk=000006868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006868

0 1
 S   -3.213200     -0.6198000      8.3200000E-02
 O   0.2310000       3.120500     -1.6899999E-02
 O   -3.642600     -0.7800000      -1.486100    
 O   -3.217000      -1.955000      0.6628000    
 O   -4.016900      0.4438000      0.6651000    
 N    4.279000      -1.901500     -1.2400000E-02
 C   0.8235000     -0.5255000      2.1500001E-02
 C    1.092500      0.8637000     -5.0000002E-04
 C   -1.562600     -5.0799999E-02  5.0999999E-02
 C  -0.5097000     -0.9664000      4.6999998E-02
 C   2.0500001E-02   1.771100      3.4000000E-03
 C   -1.297900       1.315400      2.8999999E-02
 C    1.895500      -1.432700      1.7200001E-02
 C    2.425600       1.304800     -2.6200000E-02
 C    3.213800     -0.9769000     -8.2000000E-03
 C    3.478400      0.3894000     -2.9800000E-02
 H  -0.7162000      -2.034800      5.6100000E-02
 H   -2.107000       2.041300      2.3700001E-02
 H    1.699000      -2.503800      3.3900000E-02
 H    2.692000       2.357800     -2.7799999E-02
 H    4.501800      0.7560000     -4.6300001E-02
 H    1.070300       3.325400     -0.4571000    
 H    4.087800      -2.894400      3.8999999E-03
 H    5.235100      -1.572200     -3.0099999E-02
 H   -3.115400      -1.433000      -2.004000    


%chk=000006868-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006868

0 1
S -3.226951 -0.726731 0.079665
O 0.176675 3.170602 -0.138082
O -3.484256 -0.785214 -1.763195
O -3.256208 -2.240965 0.649911
O -4.225740 0.392793 0.686114
N 4.413366 -1.876342 0.068714
C 0.902204 -0.553279 0.024945
C 1.148583 0.875953 -0.049482
C -1.467550 -0.092554 0.016105
C -0.449761 -1.033146 0.053985
C 0.024812 1.780575 -0.077998
C -1.291619 1.308155 -0.049206
C 2.001475 -1.461390 0.063838
C 2.511163 1.317780 -0.082431
C 3.332437 -1.001418 0.031215
C 3.571286 0.417834 -0.043870
H -0.669545 -2.103033 0.118668
H -2.136049 2.000915 -0.056947
H 1.793101 -2.536410 0.120046
H 2.757565 2.386610 -0.142590
H 4.603850 0.785522 -0.071625
H 1.127697 3.439735 -0.131825
H 4.270146 -2.880865 0.120700
H 5.367912 -1.529966 0.044122
H -4.447294 -1.012760 -1.918375


