%chk=000085299.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085299

0 1
 S    2.489800       2.267800     -0.4683000    
 S  -0.8347000      0.3919000       1.286500    
 S   0.5585000       2.085900      -1.128100    
 S  -0.6095000       2.292000      0.5473000    
 O    3.786100      -2.023600      2.0700000E-02
 O   -4.824400     -0.8929000     -0.3771000    
 N    2.766900      0.6517000     -0.1477000    
 N   -2.219000     -2.4300000E-02  0.4488000    
 C    2.651400     -0.3069000      -1.261400    
 C    3.932200      0.3034000      0.6842000    
 C   -3.426500      0.7929000      0.6625000    
 C   -2.591800      -1.449000      0.3875000    
 C    2.619100      -1.743100     -0.7490000    
 C    3.864500      -1.149300       1.144300    
 C   -4.487100      0.4924000     -0.3917000    
 C   -3.675400      -1.688800     -0.6587000    
 H    3.512900     -0.1815000      -1.931600    
 H    1.753700     -0.1700000      -1.870300    
 H    3.974100      0.9436000       1.573900    
 H    4.854600      0.4674000      0.1117000    
 H   -3.241600       1.869800      0.6251000    
 H   -3.834800      0.5741000       1.658700    
 H   -2.949100      -1.777700       1.372300    
 H   -1.720500      -2.062600      0.1273000    
 H    1.723700      -1.936400     -0.1454000    
 H    2.604500      -2.439400      -1.593700    
 H    4.770200      -1.405300       1.703300    
 H    3.006900      -1.322900       1.805900    
 H   -5.399100       1.057400     -0.1738000    
 H   -4.151200      0.7798000      -1.395500    
 H   -3.314400      -1.468300      -1.670700    
 H   -3.984700      -2.738800     -0.6400000    


%chk=000085299-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085299

0 1
S 2.605580 1.909034 -1.556321
S -1.126957 0.778822 1.732525
S 0.236864 1.347137 -1.790141
S -0.860647 2.358350 -0.115296
O 2.925946 -1.976383 0.321990
O -4.344961 -0.725237 -0.709703
N 3.484310 0.624178 -0.804871
N -2.472264 -0.273895 1.443374
C 3.813924 -0.615040 -1.551986
C 3.449402 0.428445 0.667169
C -3.862587 0.241186 1.523525
C -2.338544 -1.455784 0.552959
C 2.871163 -1.768107 -1.134635
C 2.517866 -0.750138 1.033718
C -4.427720 0.499476 0.105887
C -2.944632 -1.163840 -0.840579
H 4.857587 -0.890363 -1.303109
H 3.742608 -0.412482 -2.633206
H 3.112170 1.362951 1.145054
H 4.480892 0.201427 1.001026
H -3.870201 1.162209 2.129325
H -4.477633 -0.529456 2.028044
H -2.892582 -2.291264 1.023866
H -1.273277 -1.729610 0.474059
H 1.830974 -1.539508 -1.451049
H 3.195122 -2.721517 -1.583485
H 2.595099 -0.991113 2.106506
H 1.466125 -0.495654 0.788903
H -5.499486 0.753090 0.151218
H -3.866624 1.323257 -0.382214
H -2.344852 -0.390033 -1.363933
H -2.977363 -2.080838 -1.451621


