%chk=000093992.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093992

0 1
 S   -3.657400     -0.7709000      6.5899998E-02
 O    1.068600      -3.082400      7.8800000E-02
 O    4.317000      0.2670000      1.3600000E-02
 O   -4.235200     -0.3978000      -1.415400    
 O   -3.670400      -2.220200      0.1781000    
 O   -4.339400      5.9799999E-02   1.043200    
 N    2.735400      -1.452600     -2.0600000E-02
 N   -2.672500       2.067900      2.4599999E-02
 C   0.7265000      0.5009000      9.3000000E-03
 C   0.3590000     -0.8517000      2.8300000E-02
 C  -0.2898000       1.489000      8.5000005E-03
 C    2.068500      0.9062000     -6.0000001E-03
 C   -1.637000       1.097300      2.5599999E-02
 C   -1.983600     -0.2518000      4.4100001E-02
 C  -0.9904000      -1.226700      4.5800000E-02
 C    1.402700      -1.900400      3.0099999E-02
 C    3.146500     -0.1076000     -5.2999998E-03
 C   6.3900001E-02   2.846600     -8.2000000E-03
 C    2.405400       2.265600     -2.2000000E-02
 C    1.402900       3.231000     -2.3200000E-02
 C    3.779100      -2.469300     -9.5399998E-02
 H   -1.250600      -2.281000      5.7000000E-02
 H  -0.6641000       3.651000     -9.8999999E-03
 H    3.441600       2.592400     -3.4499999E-02
 H    1.665300       4.285100     -3.5900000E-02
 H    4.025600      -2.774900      0.9261000    
 H    4.679700      -2.078300     -0.5770000    
 H    3.427300      -3.344200     -0.6497000    
 H   -3.641100       1.780500      1.0400000E-02
 H   -2.482200       3.057800      1.5400000E-02
 H   -3.792000     -0.8532000      -2.169500    


%chk=000093992-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093992

0 1
S -3.695941 -0.829684 0.027273
O 1.164234 -3.109911 -0.043246
O 4.426674 0.233666 -0.087271
O -3.853804 -0.956964 -1.819001
O -3.807916 -2.313428 0.649430
O -4.728625 0.330957 0.531683
N 2.783945 -1.433779 -0.065152
N -2.683430 2.141320 0.129040
C 0.740647 0.573572 0.007490
C 0.391019 -0.816816 0.002189
C -0.275389 1.593588 0.049611
C 2.119584 0.954323 -0.019099
C -1.686764 1.205842 0.073996
C -1.952834 -0.194561 0.059724
C -0.955812 -1.188271 0.019671
C 1.428593 -1.871572 -0.035223
C 3.198461 -0.076560 -0.059608
C 0.129524 2.962483 0.062847
C 2.485341 2.309585 -0.007681
C 1.486278 3.315856 0.033734
C 3.820150 -2.492551 -0.106029
H -1.216281 -2.252970 0.015722
H -0.610426 3.769802 0.097264
H 3.550658 2.559968 -0.029843
H 1.774906 4.371207 0.044638
H 3.729731 -3.138873 0.782053
H 4.802113 -1.999980 -0.128278
H 3.679044 -3.118868 -1.001795
H -3.661691 1.829079 0.238536
H -2.472755 3.134938 0.125903
H -4.699935 -1.456298 -2.016377


