%chk=000064328.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064328

0 1
 N  -0.6671000     -0.1575000      0.5317000    
 N   -3.450200     -0.2227000     -0.2481000    
 C   0.7625000     -5.3300001E-02  0.2459000    
 C    2.991500      -1.243400      0.4018000    
 C    2.507700      0.2630000      -1.560400    
 C    2.874900       1.253800      0.7286000    
 C    1.483500      -1.346100      0.6882000    
 C    1.001700      0.1541000      -1.266100    
 C    1.367300       1.141700       1.014200    
 C    3.206300      -1.029700      -1.106100    
 C    3.571500     -4.4199999E-02   1.171000    
 C    3.090000       1.454500     -0.7812000    
 C   -1.371600       1.062300      0.1185000    
 C   -1.246600      -1.333300     -0.1293000    
 C   -2.871600      0.9532000      0.4135000    
 C   -2.746300      -1.442000      0.1671000    
 C   -4.880300     -0.3265000      3.5500001E-02
 C   -5.623000      0.9163000     -0.4247000    
 H    3.493600      -2.163900      0.7204000    
 H    2.667400      0.4109000      -2.634500    
 H    3.294600       2.103700       1.278500    
 H    1.138100      -2.233600      0.1481000    
 H    1.321800      -1.533200       1.758000    
 H   0.5483000       1.074100      -1.648000    
 H   0.6207000     -0.6707000      -1.876200    
 H    1.203100       1.029300       2.094000    
 H   0.9307000       2.101900      0.7210000    
 H    4.279300     -0.9722000      -1.326500    
 H    2.812300      -1.886300      -1.666900    
 H    3.438600     -0.1916000       2.249900    
 H    4.650900      2.9800000E-02  0.9902000    
 H    4.161000       1.554200     -0.9962000    
 H    2.612400       2.386300      -1.108000    
 H   -1.280300       1.278900     -0.9504000    
 H   -1.035500       1.941000      0.6747000    
 H  -0.8235000      -2.267800      0.2483000    
 H   -1.136000      -1.322900      -1.218000    
 H   -3.034700      0.9139000       1.499300    
 H   -3.322600       1.880600      4.4799998E-02
 H   -3.146200      -2.305000     -0.3796000    
 H   -2.898000      -1.636100       1.237900    
 H   -5.291500      -1.186100     -0.5079000    
 H   -5.072900     -0.4945000       1.102700    
 H   -5.457200       1.772400      0.2366000    
 H   -5.350600       1.197300      -1.447800    
 H   -6.701200      0.7204000     -0.4171000    


%chk=000064328-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064328

0 1
N -0.689862 -0.115586 0.252117
N -3.590740 -0.190672 -0.138535
C 0.805400 -0.033951 0.051523
C 3.022000 -1.276475 0.416528
C 2.783286 0.315652 -1.541729
C 2.914114 1.208086 0.828985
C 1.474992 -1.360833 0.522218
C 1.234649 0.230258 -1.431458
C 1.369788 1.113818 0.945236
C 3.415823 -1.019084 -1.063702
C 3.552717 -0.121868 1.303192
C 3.301830 1.477285 -0.651307
C -1.458431 1.083913 -0.170695
C -1.371757 -1.322129 -0.282979
C -2.900314 1.021768 0.364101
C -2.815822 -1.395342 0.245948
C -5.005361 -0.288735 0.301113
C -5.908090 0.806746 -0.295207
H 3.455904 -2.238554 0.754645
H 3.064958 0.502539 -2.597588
H 3.272793 2.042556 1.464046
H 1.137756 -2.208354 -0.104861
H 1.160810 -1.570370 1.564051
H 0.786627 1.177228 -1.792676
H 0.853009 -0.582098 -2.082543
H 1.062036 0.925618 1.992209
H 0.937306 2.087527 0.645432
H 4.519103 -0.973585 -1.162372
H 3.063992 -1.855558 -1.701083
H 3.296977 -0.308382 2.365695
H 4.657749 -0.064156 1.235603
H 4.402698 1.567103 -0.746448
H 2.864049 2.438654 -0.988635
H -1.510339 1.178711 -1.283443
H -0.980831 1.994319 0.227583
H -0.844898 -2.229861 0.052016
H -1.405243 -1.330038 -1.401286
H -2.870440 1.037428 1.484602
H -3.446244 1.918929 0.020938
H -3.315143 -2.286450 -0.181157
H -2.775906 -1.519528 1.359185
H -5.378874 -1.278032 -0.028383
H -5.086825 -0.271538 1.420622
H -5.654919 1.811537 0.087667
H -5.812525 0.821373 -1.395293
H -6.965003 0.611130 -0.036475


