%chk=000118431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118431

0 1
 S    1.571000       1.352400      0.7718000    
 S   -1.569600      -1.342000      0.7827000    
 O    6.283500       1.430700     -0.6985000    
 O   -6.275200      -1.438800     -0.6941000    
 O    7.348300      6.0600001E-02  0.8117000    
 O   -7.345800     -6.7199998E-02  0.8105000    
 N    1.271200      -1.241600      0.7811000    
 N   -1.269900       1.252000      0.7739000    
 C    5.723900     -0.8884000     -0.7499000    
 C   -5.723900      0.8820000     -0.7534000    
 C    4.207300     -0.5810000     -0.6550000    
 C   -4.206200      0.5803000     -0.6565000    
 C    3.627800     -0.4901000      0.7773000    
 C   -3.655900      0.5046000      0.7763000    
 C    6.129700     -0.9882000      -2.231600    
 C    6.052500      -2.229700     -7.1000002E-02
 C   -6.057600       2.224600     -7.9599999E-02
 C   -6.129200      0.9751000      -2.235700    
 C    6.552000      0.2301000     -0.1040000    
 C   -6.548500     -0.2370000     -0.1041000    
 C    2.163700     -0.2726000      0.7774000    
 C   -2.162300      0.2829000      0.7777000    
 C  -3.2499999E-02  0.6874000      0.7752000    
 C   3.3799998E-02 -0.6772000      0.7798000    
 C    7.007300       2.553300     -0.1849000    
 C   -6.995500      -2.562100     -0.1770000    
 H    3.988100      0.3584000      -1.180500    
 H    3.655400      -1.358800      -1.202000    
 H   -3.981600     -0.3620000      -1.174200    
 H   -3.654400       1.357000      -1.204900    
 H    4.141000      0.3001000       1.338100    
 H    3.825000      -1.424500       1.314800    
 H   -4.159900     -0.2871000       1.342600    
 H   -3.844200       1.443400       1.308700    
 H    5.629500      -1.830200      -2.723100    
 H    7.211700      -1.130200      -2.336800    
 H    5.867400     -7.9499997E-02  -2.785200    
 H    5.425100      -3.037400     -0.4641000    
 H    5.911200      -2.186900       1.014000    
 H    7.099300      -2.509500     -0.2395000    
 H   -7.103400       2.503400     -0.2568000    
 H   -5.925700       2.185200       1.006800    
 H   -5.428100       3.031800     -0.4701000    
 H   -5.862600      6.5600000E-02  -2.786000    
 H   -7.211600       1.112200      -2.342100    
 H   -5.632100       1.817600      -2.729800    
 H    6.700600       3.440400     -0.7453000    
 H    8.082700       2.405500     -0.3220000    
 H    6.768600       2.705700      0.8720000    
 H   -6.685500      -3.450200     -0.7341000    
 H   -8.071300      -2.418500     -0.3153000    
 H   -6.756900      -2.710000      0.8806000    


%chk=000118431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118431

0 1
S 1.636177 1.382525 0.718008
S -1.636453 -1.379724 0.695311
O 6.144445 1.426489 -0.446662
O -6.142762 -1.429694 -0.439240
O 7.485585 -0.008760 0.792616
O -7.487869 0.011096 0.789270
N 1.269731 -1.300911 0.702989
N -1.270038 1.303848 0.712011
C 5.822420 -0.952027 -0.816737
C -5.823547 0.947101 -0.823041
C 4.282863 -0.700727 -0.744892
C -4.283909 0.696536 -0.751018
C 3.708928 -0.678600 0.700338
C -3.709159 0.681486 0.693949
C 6.260909 -0.882864 -2.312078
C 6.210383 -2.326838 -0.221408
C -6.211409 2.324561 -0.233757
C -6.263041 0.870887 -2.317756
C 6.578845 0.153118 -0.055735
C -6.579558 -0.154602 -0.056654
C 2.236801 -0.391287 0.722225
C -2.237166 0.394114 0.717408
C -0.026970 0.703973 0.693870
C 0.026768 -0.700870 0.686194
C 6.841248 2.569749 0.190664
C -6.839093 -2.570028 0.203841
H 4.055541 0.261192 -1.238452
H 3.775552 -1.499799 -1.318609
H -4.056654 -0.267609 -1.240261
H -3.777325 1.493031 -1.328988
H 4.246754 0.078929 1.300816
H 3.856838 -1.659969 1.184489
H -4.247220 -0.072924 1.298258
H -3.856324 1.665226 1.173426
H 5.754655 -1.683295 -2.882214
H 7.351498 -1.030942 -2.411878
H 5.995876 0.090680 -2.758661
H 5.651650 -3.127714 -0.739221
H 5.993922 -2.387207 0.858559
H 7.290679 -2.514170 -0.344685
H -7.291904 2.510895 -0.356715
H -5.993681 2.390009 0.845667
H -5.653527 3.123223 -0.755902
H -5.997930 -0.104627 -2.760004
H -7.353746 1.018089 -2.417526
H -5.757455 1.668849 -2.891923
H 6.355178 3.462662 -0.226537
H 7.915861 2.547962 -0.057135
H 6.724844 2.527812 1.286785
H -6.351235 -3.464802 -0.207240
H -7.913350 -2.551101 -0.045731
H -6.724425 -2.521352 1.299867


