%chk=000025843.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025843

0 1
 S    2.256100     -0.3372000       2.146900    
 P    2.248500      1.6000000E-03  0.2262000    
 O   0.9220000      0.6994000     -0.3917000    
 O    3.411500      0.9998000     -0.3243000    
 O    2.448700      -1.278400     -0.7581000    
 N   -4.317800      -1.063000      0.2283000    
 C   -2.723600      0.7570000     -9.0899996E-02
 C  -0.3689000      0.2699000     -0.2408000    
 C   -2.992400     -0.6023000      6.9499999E-02
 C   -1.408100       1.194300     -0.2465000    
 C  -0.6303000      -1.087000     -8.1500001E-02
 C   -1.945600      -1.524200      7.4199997E-02
 C   -3.825300       1.766400     -0.1004000    
 C    3.393000       2.371000      3.5300002E-02
 C    3.532200      -2.167300     -0.5461000    
 H   -1.184900       2.250800     -0.3717000    
 H   0.1553000      -1.833300     -8.0200002E-02
 H   -2.141500      -2.586500      0.1968000    
 H   -3.443300       2.784300     -0.2354000    
 H   -4.519600       1.569700     -0.9240000    
 H   -4.370600       1.749100      0.8490000    
 H   -4.492800      -2.052800      0.3429000    
 H   -5.096500     -0.4193000      0.2286000    
 H    4.229600       2.871600     -0.4585000    
 H    3.505000       2.479800       1.116600    
 H    2.460100       2.836400     -0.2924000    
 H    3.669600      -2.770500      -1.446900    
 H    3.308100      -2.830900      0.2926000    
 H    4.452000      -1.610100     -0.3491000    


%chk=000025843-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025843

0 1
S 2.091944 0.488005 2.155371
P 2.220100 0.214866 0.110293
O 0.867021 0.632507 -0.906194
O 3.462907 1.078878 -0.719663
O 2.539474 -1.378970 -0.471654
N -4.430707 -1.108218 -0.000846
C -2.740431 0.670495 0.100257
C -0.452594 0.157383 -0.620375
C -3.115104 -0.680387 -0.202422
C -1.403046 1.066594 -0.112686
C -0.809892 -1.172791 -0.922259
C -2.138471 -1.584360 -0.710799
C -3.768808 1.643681 0.644895
C 3.666459 2.506761 -0.385778
C 3.545279 -2.195351 0.247255
H -1.090534 2.090986 0.115879
H -0.055536 -1.862771 -1.312873
H -2.428405 -2.616142 -0.943971
H -3.318902 2.632364 0.832461
H -4.610597 1.792719 -0.061888
H -4.198887 1.291916 1.604996
H -4.697738 -2.066398 -0.205109
H -5.135236 -0.483399 0.376842
H 4.640239 2.762164 -0.829055
H 3.690969 2.654372 0.710090
H 2.867394 3.119936 -0.837577
H 3.428565 -3.208014 -0.166035
H 3.344545 -2.196245 1.334375
H 4.560490 -1.812279 0.044869


