%chk=000046724.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046724

2 1
 N   0.1853000       1.111000     -2.1199999E-02
 N   -4.533100     -0.4917000     -0.1296000    
 C   0.6777000     -0.3299000      0.3320000    
 C    1.151400       2.145600      0.5622000    
 C   -1.218400       1.393000      0.5278000    
 C    2.567400       1.963100      2.7400000E-02
 C    2.157300     -0.5451000      6.4300001E-02
 C   8.3200000E-02   1.257400      -1.549900    
 C   -2.225300      0.3918000     -2.8300000E-02
 C    3.048300      0.5377000     -2.2800000E-02
 C   -3.655200      0.5321000      0.4833000    
 C   0.3692000     -0.6960000       1.793900    
 C    2.651800      -1.853600     -7.0500001E-02
 C    4.412500      0.2918000     -0.2454000    
 C   -5.990300     -0.3023000      0.3171000    
 C   -4.490800     -0.4026000      -1.662300    
 C   -4.092000      -1.905800      0.2762000    
 C    4.009900      -2.084700     -0.2843000    
 C    4.890900      -1.011800     -0.3697000    
 H   0.1271000      -1.008400     -0.3306000    
 H    1.128800       2.035600       1.651900    
 H   0.7698000       3.142300      0.3109000    
 H   -1.176300       1.374800       1.621500    
 H   -1.489700       2.413700      0.2300000    
 H    3.243600       2.547000      0.6649000    
 H    2.646000       2.393900     -0.9782000    
 H   -1.877100     -0.6221000      0.1553000    
 H   -2.260400      0.5373000      -1.108000    
 H    1.084800       1.248600      -1.984300    
 H  -0.4577000      0.4077000      -1.973100    
 H  -0.4071000       2.207400      -1.781700    
 H   -3.693200      0.4114000       1.572500    
 H   -4.056100       1.521900      0.2335000    
 H   0.8618000     -1.8999999E-02   2.499400    
 H  -0.6985000     -0.7115000       2.023600    
 H   0.7336000      -1.704400       2.025000    
 H    1.976500      -2.703400     -4.9999999E-03
 H    5.110200       1.121500     -0.3320000    
 H   -6.606200      -1.077700     -0.1479000    
 H   -6.317000      0.6915000     -2.9000000E-03
 H   -6.023800     -0.3865000       1.407200    
 H   -4.644400      0.6406000      -1.953400    
 H   -3.539000     -0.7909000      -2.033800    
 H   -5.298900      -1.025400      -2.059800    
 H   -3.157600      -2.166600     -0.2258000    
 H   -4.869300      -2.607800     -4.2599998E-02
 H   -3.982300      -1.934700       1.364100    
 H    4.378800      -3.101200     -0.3845000    
 H    5.948800      -1.188300     -0.5404000    


%chk=000046724-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046724

2 1
N 0.256062 0.941352 -0.112582
N -4.787709 -0.461992 -0.135116
C 0.846870 -0.461880 0.301753
C 1.073210 2.052110 0.610752
C -1.213609 1.127053 0.314190
C 2.549383 2.057795 0.197512
C 2.352141 -0.496311 0.031150
C 0.381586 1.112095 -1.625679
C -2.220359 0.086068 -0.237809
C 3.162613 0.668132 0.076690
C -3.618146 0.447643 0.318599
C 0.531280 -0.832301 1.767149
C 2.947869 -1.765502 -0.182123
C 4.564922 0.536261 -0.078564
C -6.072008 0.084471 0.510914
C -4.957383 -0.434641 -1.656394
C -4.581129 -1.905087 0.332363
C 4.343775 -1.885460 -0.330328
C 5.156717 -0.728155 -0.271272
H 0.340509 -1.178758 -0.373694
H 0.959590 1.854448 1.688770
H 0.585520 3.013831 0.374736
H -1.219735 1.125111 1.416955
H -1.493144 2.142109 -0.022800
H 3.093435 2.652047 0.955529
H 2.679804 2.607876 -0.754591
H -1.926176 -0.929056 0.080584
H -2.230074 0.114926 -1.340891
H 1.431227 0.980261 -1.917940
H -0.218635 0.342646 -2.132708
H 0.033737 2.118393 -1.907542
H -3.619557 0.406387 1.422669
H -3.902187 1.471267 0.014345
H 1.000259 -0.145045 2.490928
H -0.547490 -0.918980 1.988396
H 0.978711 -1.822872 1.955834
H 2.323058 -2.666528 -0.228711
H 5.196802 1.431522 -0.049059
H -6.918538 -0.553921 0.216799
H -6.244821 1.113295 0.160099
H -5.961521 0.071568 1.605959
H -5.055092 0.609121 -1.992567
H -4.092870 -0.913758 -2.137613
H -5.869761 -0.991271 -1.919049
H -3.707187 -2.339751 -0.173447
H -5.475909 -2.491096 0.073187
H -4.438600 -1.916217 1.423938
H 4.795576 -2.868660 -0.492040
H 6.241980 -0.813244 -0.381281


