%chk=000053238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053238

0 1
 N    4.310500     -0.7412000      0.4998000    
 N    3.912300      -1.972400     -9.0300001E-02
 C    3.653100      0.3457000     -0.2490000    
 C    2.165600      0.2591000     -0.1856000    
 C  -0.6175000      9.8600000E-02 -6.7000002E-02
 C    1.426600      8.4100001E-02  -1.355700    
 C    1.513200      0.3540000       1.043700    
 C    4.189300       1.694900      0.2634000    
 C   3.5300002E-02  4.0000002E-03  -1.296300    
 C   0.1218000      0.2736000       1.103000    
 C   -2.060500      1.4700000E-02 -5.5999998E-03
 C   -2.831800       1.172400     -0.1060000    
 C   -2.680300      -1.224500      0.1562000    
 C   -4.223000       1.091100     -4.4700000E-02
 C   -4.071400      -1.305900      0.2173000    
 C   -4.842900     -0.1481000      0.1168000    
 H    3.976300      0.2814000      -1.298600    
 H    1.919000      8.2999999E-03  -2.321500    
 H    2.070000      0.4867000       1.967400    
 H    3.723200       2.527100     -0.2764000    
 H    5.272600       1.765500      0.1127000    
 H    3.992000       1.839900       1.331600    
 H  -0.5257000     -0.1327000      -2.217900    
 H  -0.3709000      0.3483000       2.069600    
 H    5.323000     -0.6451000      0.4292000    
 H   -2.364800       2.146400     -0.2319000    
 H   -2.094000      -2.136900      0.2364000    
 H   -4.823800       1.992500     -0.1228000    
 H   -4.554100      -2.270700      0.3432000    
 H    4.327800      -2.058000      -1.017600    
 H    4.296000      -2.740600      0.4585000    
 H   -5.926000     -0.2115000      0.1644000    


%chk=000053238-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053238

0 1
N 4.442484 -0.736956 0.448704
N 4.338479 -2.047964 -0.120975
C 3.778902 0.367190 -0.292457
C 2.255414 0.228850 -0.231087
C -0.608476 0.075601 -0.075970
C 1.446533 0.616320 -1.326611
C 1.616671 -0.247106 0.940850
C 4.240077 1.711904 0.322038
C 0.039884 0.545076 -1.251211
C 0.211740 -0.321565 1.016973
C -2.095891 -0.002020 0.005108
C -2.916141 0.949159 -0.663587
C -2.737421 -1.027735 0.754070
C -4.323448 0.877837 -0.587714
C -4.144591 -1.099287 0.833185
C -4.946489 -0.146999 0.162022
H 4.075048 0.361216 -1.373895
H 1.921606 0.966976 -2.252134
H 2.243543 -0.555221 1.785530
H 3.748521 2.558812 -0.185713
H 5.335703 1.838935 0.224228
H 3.975445 1.748711 1.393470
H -0.560985 0.821689 -2.125165
H -0.258877 -0.662788 1.946297
H 5.424541 -0.529409 0.668076
H -2.447249 1.768087 -1.221029
H -2.130534 -1.791930 1.253063
H -4.933702 1.627303 -1.104445
H -4.615608 -1.903481 1.409808
H 4.417257 -2.069208 -1.152211
H 3.487521 -2.518850 0.204773
H -6.039055 -0.202451 0.222308


