%chk=000080418.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080418

0 1
 S   -3.650500     -0.4446000      7.5599998E-02
 O   0.1236000       2.962100     -9.8000001E-03
 O   -4.087300     -0.5651000      -1.495400    
 O   -3.779800      -1.773600      0.6552000    
 O   -4.354600      0.6889000      0.6544000    
 N    4.476000      0.2770000     -3.3000000E-02
 C   0.7738000      0.6354000      8.5000005E-03
 C   0.3776000     -0.7231000      2.8700000E-02
 C   -1.954300     -3.0500000E-02  4.9199998E-02
 C  -0.9906000      -1.039300      4.8999999E-02
 C  -0.2098000       1.637700      8.9999996E-03
 C    2.142000      0.9514000     -1.1800000E-02
 C    3.105800     -5.7399999E-02 -1.1900000E-02
 C    1.361400      -1.725500      2.8200001E-02
 C   -1.564700       1.305400      2.9300001E-02
 C    2.716200      -1.393200      8.0000004E-03
 C    5.515200     -0.7055000     -3.3300001E-02
 H   -1.294600      -2.084200      5.7000000E-02
 H    2.489900       1.980800     -4.4199999E-02
 H   -2.303300       2.102700      2.1400001E-02
 H    1.079400      -2.776400      4.3699998E-02
 H    3.433700      -2.208300      8.5000005E-03
 H    4.723500       1.259800     -4.6500001E-02
 H   0.9813000       3.099300      0.4214000    
 H    5.464700      -1.346400     -0.9197000    
 H    5.486000      -1.324500      0.8696000    
 H    6.489500     -0.2061000     -5.0999999E-02
 H   -3.620900      -1.264000      -2.011400    


%chk=000080418-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080418

0 1
S -3.690310 -0.560104 0.055629
O 0.070880 3.004759 0.002014
O -3.940810 -0.525483 -1.792452
O -3.868809 -2.085707 0.567850
O -4.588769 0.627081 0.693204
N 4.557985 0.293108 -0.019030
C 0.826256 0.626697 0.022083
C 0.426610 -0.767584 0.066687
C -1.889632 -0.098035 0.037667
C -0.956290 -1.125299 0.067625
C -0.217084 1.632201 0.018525
C 2.211181 0.955392 -0.013569
C 3.210625 -0.046644 0.017558
C 1.454532 -1.765641 0.097451
C -1.566872 1.281286 0.015191
C 2.803157 -1.429106 0.078833
C 5.655621 -0.674620 -0.007117
H -1.269684 -2.173351 0.102937
H 2.540381 2.001908 -0.087972
H -2.340772 2.052891 0.024856
H 1.158115 -2.820055 0.135469
H 3.559899 -2.218091 0.104325
H 4.795904 1.282401 -0.065721
H 1.024285 3.179256 0.195965
H 5.617524 -1.355825 -0.880262
H 5.654798 -1.291121 0.913573
H 6.613169 -0.130589 -0.046353
H -4.922689 -0.636925 -1.956264


