%chk=000077084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077084

0 1
 S   -3.487300      0.8604000     -0.5191000    
 N   -5.680300      0.4904000      0.8963000    
 N   -4.996900      -1.333800     -0.4389000    
 C    1.758700      0.4441000     -0.1489000    
 C    2.994400     -0.3582000      0.2693000    
 C   0.4392000     -0.2714000      0.1496000    
 C    4.314800      0.3235000     -9.5500000E-02
 C  -0.7607000      0.5635000     -0.3086000    
 C    5.511400     -0.5524000      0.2788000    
 C   -2.073200     -0.1399000      2.4000000E-02
 C    6.825800      0.1021000     -0.1157000    
 C   -4.845800     -0.1283000      8.7000001E-03
 H    1.771800       1.413900      0.3637000    
 H    1.817100      0.6539000      -1.224200    
 H    2.961200     -0.5322000       1.351900    
 H    2.954800      -1.344100     -0.2107000    
 H   0.3661000     -0.4656000       1.226500    
 H   0.4258000      -1.244100     -0.3569000    
 H    4.333900      0.5293000      -1.172600    
 H    4.384300       1.289000      0.4197000    
 H  -0.6875000      0.7357000      -1.389900    
 H  -0.7253000       1.544100      0.1829000    
 H    5.432500      -1.525200     -0.2205000    
 H    5.511200     -0.7407000       1.358700    
 H   -2.108800      -1.115500     -0.4713000    
 H   -2.153300     -0.3041000       1.103800    
 H    6.951400       1.065100      0.3896000    
 H    6.870700      0.2723000      -1.196100    
 H    7.667500     -0.5399000      0.1623000    
 H   -5.506700       1.439300       1.209300    
 H   -6.496800      1.8100001E-02   1.268900    
 H   -4.240300      -1.544200      -1.098100    


%chk=000077084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077084

0 1
S -3.538473 1.006657 -0.339867
N -6.096344 0.654167 0.439715
N -4.947004 -1.388578 0.445105
C 1.809292 0.437707 -0.165700
C 3.045536 -0.449909 0.101952
C 0.469466 -0.306008 0.036642
C 4.385425 0.293554 -0.098248
C -0.759352 0.599958 -0.217328
C 5.623198 -0.590682 0.176272
C -2.081969 -0.157646 -0.009918
C 6.957150 0.161083 -0.022225
C -4.953958 -0.102144 0.244534
H 1.841878 1.322053 0.504489
H 1.857495 0.831063 -1.202502
H 2.996939 -0.843188 1.139104
H 3.014504 -1.335210 -0.567511
H 0.426067 -0.706901 1.070672
H 0.431422 -1.183278 -0.642357
H 4.438335 0.683611 -1.136418
H 4.416195 1.181228 0.568156
H -0.715887 0.998611 -1.250267
H -0.722350 1.472030 0.464626
H 5.593523 -1.476235 -0.491319
H 5.568323 -0.981994 1.212817
H -2.156081 -1.009150 -0.710304
H -2.175272 -0.524735 1.027088
H 7.026892 1.030935 0.658166
H 7.048542 0.538913 -1.058194
H 7.825610 -0.493642 0.176399
H -6.064752 1.669408 0.468939
H -6.953054 0.161234 0.685073
H -4.081597 -1.887814 0.189411


