%chk=000031560.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031560

0 1
 S   -1.480800      -1.003800      2.1199999E-02
 S    1.481000      -1.003800      3.1099999E-02
 N   -5.298000      0.3648000     -5.3300001E-02
 N    5.297900      0.3648000     -6.1799999E-02
 C    0.000000      0.1337000      3.9900001E-02
 C  -1.3400000E-02   1.009300      -1.216100    
 C   1.3300000E-02  0.9789000       1.316400    
 C   -2.864700      0.1641000     -9.7000003E-03
 C    2.864700      0.1641000     -1.3700000E-02
 C   -4.190600     -0.5862000     -2.8000001E-02
 C    4.190700     -0.5860000     -2.6000001E-02
 H  -2.6500000E-02  0.4134000      -2.136100    
 H   0.8580000       1.670500      -1.259800    
 H  -0.8768000       1.681700      -1.237800    
 H   0.8793000       1.647400       1.355400    
 H  -0.8602000       1.636400       1.376300    
 H   2.5800001E-02  0.3601000       2.221300    
 H   -2.822000      0.8060000      0.8748000    
 H   -2.799500      0.7905000     -0.9036000    
 H    2.793700      0.7813000     -0.9136000    
 H    2.824900      0.8147000      0.8643000    
 H   -4.260700      -1.227000     -0.9141000    
 H   -4.290300      -1.222800      0.8587000    
 H    4.295900      -1.211700      0.8674000    
 H    4.263400      -1.240600     -0.9019000    
 H   -5.269100      0.9478000      0.7824000    
 H   -6.180400     -0.1437000     -1.6100001E-02
 H    5.240900      0.9878000      0.7432000    
 H    5.211000      0.9614000     -0.8839000    


%chk=000031560-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031560

0 1
S -1.486909 -0.986088 -0.075454
S 1.464184 -0.962414 0.151814
N -5.428132 0.251781 0.178649
N 5.468628 0.235203 -0.112494
C -0.022139 0.260980 0.033115
C 0.045728 1.101530 -1.250924
C -0.103048 1.110221 1.310702
C -2.968152 0.162479 0.247467
C 2.937099 0.198051 -0.183074
C -4.258860 -0.597542 -0.116556
C 4.254202 -0.558087 0.136666
H 0.164968 0.454228 -2.134954
H 0.887635 1.819006 -1.213378
H -0.884645 1.688578 -1.371877
H 0.816760 1.715398 1.425028
H -0.957687 1.811920 1.269065
H -0.208549 0.468133 2.200259
H -2.971464 0.451410 1.312794
H -2.883848 1.065283 -0.379574
H 2.917950 0.509639 -1.242207
H 2.843183 1.088329 0.465873
H -4.250312 -0.815969 -1.199772
H -4.266961 -1.580252 0.410992
H 4.246246 -0.874888 1.195679
H 4.306103 -1.481320 -0.469915
H -5.646774 0.354220 1.173057
H -6.256472 0.067134 -0.391189
H 5.594826 1.043562 0.502300
H 5.653945 0.452574 -1.095194


