%chk=000051714.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051714

0 1
 N  -0.9531000      0.2534000      0.3451000    
 N    2.720200      0.6340000     -0.1059000    
 N    5.028600      0.5221000     -0.2704000    
 N    3.967900      -1.278700      0.6389000    
 C   -1.189000      -1.039600     -0.3135000    
 C   -2.087000       1.182800      0.4534000    
 C   -2.441400      -1.728500      0.2568000    
 C   -3.330700      0.4721000       1.016100    
 C   -3.659600     -0.8139000      0.2690000    
 C   0.3042000      0.8892000     -2.5400000E-02
 C   -1.221100      -1.025800      -1.847600    
 C   -2.435600       1.980300     -0.8104000    
 C    1.477200     -2.2399999E-02  0.3053000    
 C    3.819300     -2.5000000E-02  8.8500001E-02
 H  -0.3885000      -1.732700     -3.3799998E-02
 H   -1.811000       1.931400       1.209600    
 H   -2.234100      -2.048000       1.287400    
 H   -2.671100      -2.640400     -0.3075000    
 H   -4.198200       1.142500      0.9977000    
 H   -3.152100      0.2281000       2.072200    
 H   -3.981100     -0.5912000     -0.7542000    
 H   -4.497100      -1.321900      0.7606000    
 H   0.4346000       1.819600      0.5433000    
 H   0.3286000       1.174500      -1.083400    
 H   -2.072800     -0.4765000      -2.250900    
 H  -0.3055000     -0.6056000      -2.273400    
 H   -1.298500      -2.051600      -2.227200    
 H   -2.852700       1.359200      -1.604300    
 H   -3.188600       2.741300     -0.5740000    
 H   -1.566100       2.511900      -1.208800    
 H    1.492800     -0.2335000       1.381800    
 H    1.417500     -0.9653000     -0.2453000    
 H    5.082400       1.443700     -0.6903000    
 H    5.899900      2.3399999E-02 -0.1271000    
 H    4.885600      -1.698300      0.7419000    
 H    3.177900      -1.825800      0.9618000    


%chk=000051714-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051714

0 1
N -0.904736 0.075605 -0.069351
N 2.846627 0.560392 -0.026807
N 5.194279 0.450251 -0.135665
N 4.102268 -0.975617 1.378604
C -1.378900 -1.115566 -0.815983
C -1.889399 1.065801 0.429743
C -2.506840 -1.819602 -0.016856
C -3.014427 0.336908 1.210333
C -3.620538 -0.831505 0.399055
C 0.422902 0.592397 -0.446944
C -1.800279 -0.860978 -2.298874
C -2.469316 2.041944 -0.642443
C 1.558776 -0.008299 0.416500
C 3.965575 0.029288 0.404116
H -0.514294 -1.811331 -0.853259
H -1.338385 1.694463 1.159771
H -2.065670 -2.261970 0.898219
H -2.925061 -2.647088 -0.622509
H -3.799492 1.066109 1.489872
H -2.584111 -0.069066 2.147101
H -4.143931 -0.444465 -0.497607
H -4.385141 -1.355800 1.003843
H 0.455073 1.691702 -0.325957
H 0.665005 0.396848 -1.513514
H -2.771103 -0.340750 -2.372387
H -1.045355 -0.247094 -2.823816
H -1.888426 -1.822629 -2.839953
H -3.187539 1.542444 -1.315812
H -2.994219 2.882815 -0.149243
H -1.658562 2.465498 -1.263429
H 1.338384 0.237539 1.480474
H 1.523744 -1.121860 0.330711
H 5.110381 1.145370 -0.876286
H 6.007970 0.513097 0.475499
H 4.922082 -1.578669 1.382617
H 3.274459 -1.291379 1.876234


