%chk=000029481.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029481

1 1
 N   0.9318000     -0.3752000     -0.4641000    
 C  -0.5474000     -0.4151000     -0.1988000    
 C   -1.212900      -1.234300      -1.324000    
 C  -0.7392000      -1.049000       1.195400    
 C   -1.036200       1.036300     -0.2337000    
 C   -1.254200      -2.723500     -0.9957000    
 C   -2.040500      -1.840800       1.277400    
 C   -2.060600      -2.998500      0.2761000    
 C    1.642000      0.4278000      0.6259000    
 C    1.207800      0.2818000      -1.816700    
 C    1.503300      -1.793000     -0.4809000    
 C   -2.524900       1.120000     -4.9400002E-02
 C    3.126400      0.5090000      0.4235000    
 C   -3.357800       1.077500      -1.160900    
 C   -3.052800       1.238500       1.230500    
 C    3.951300     -0.4625000      0.9795000    
 C    3.664200       1.554700     -0.3188000    
 C   -4.739900       1.155000     -0.9899000    
 C   -4.435000       1.315800       1.401300    
 C    5.331300     -0.3873000      0.7913000    
 C    5.044300       1.629700     -0.5071000    
 C   -5.278500       1.274200      0.2911000    
 C    5.877700      0.6587000      4.8000000E-02
 H  -0.8296000      -1.121200      -2.333800    
 H   -2.267900     -0.9910000      -1.435000    
 H  -0.7639000     -0.2728000       1.970400    
 H   3.7900001E-02  -1.726500       1.544700    
 H  -0.8233000       1.546500      -1.178300    
 H  -0.6113000       1.668000      0.5513000    
 H  -0.3096000      -3.251100     -0.9170000    
 H   -1.761900      -3.237600      -1.824000    
 H   -2.924900      -1.233600       1.099200    
 H   -2.163300      -2.242300       2.290900    
 H    1.444000     -1.8200001E-02   1.605400    
 H    1.268900       1.453600      0.6423000    
 H   -3.102400      -3.224500      1.7100001E-02
 H   -1.666300      -3.904000      0.7538000    
 H    2.248000      6.9700003E-02  -2.088600    
 H   0.6134000     -0.1104000      -2.634700    
 H    1.091800       1.366200      -1.745600    
 H    2.584900      -1.736500     -0.6198000    
 H    1.315100      -2.379400      0.4134000    
 H    1.199000      -2.276000      -1.410800    
 H   -2.955500       1.014100      -2.168500    
 H   -2.412900       1.293500       2.106000    
 H    3.542800      -1.275000       1.574300    
 H    3.032800       2.328400     -0.7459000    
 H   -5.396500       1.129200      -1.854700    
 H   -4.854400       1.413200       2.398400    
 H    5.980700      -1.141300       1.226500    
 H    5.470300       2.446100      -1.082900    
 H   -6.354600       1.336900      0.4241000    
 H    6.952500      0.7181000     -9.7400002E-02


%chk=000029481-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029481

1 1
N 1.044736 -0.534820 -0.606809
C -0.601236 -0.629372 -0.392198
C -1.212240 -1.602532 -1.449134
C -0.873187 -1.169588 1.043818
C -1.143800 0.831288 -0.631083
C -1.395464 -3.066329 -0.979854
C -2.248912 -1.881733 1.146630
C -2.331387 -3.155558 0.259511
C 1.706529 0.179507 0.635970
C 1.391851 0.235687 -1.876740
C 1.672561 -1.915178 -0.749706
C -2.572843 1.113673 -0.170616
C 3.185473 0.478911 0.501358
C -3.668499 0.948907 -1.057241
C -2.824976 1.610723 1.134839
C 4.155386 -0.452829 0.960076
C 3.625080 1.730688 -0.006758
C -4.987355 1.232808 -0.636819
C -4.141216 1.896898 1.558314
C 5.533125 -0.154209 0.880775
C 5.001786 2.031376 -0.085634
C -5.228549 1.699666 0.675623
C 5.958988 1.086150 0.351715
H -0.663199 -1.559677 -2.409515
H -2.217942 -1.202637 -1.678138
H -0.826461 -0.348864 1.781437
H -0.102695 -1.910478 1.333756
H -1.087060 1.040357 -1.714999
H -0.486953 1.561116 -0.123298
H -0.422291 -3.532956 -0.746458
H -1.817690 -3.654287 -1.815248
H -3.046985 -1.173194 0.873219
H -2.421572 -2.144656 2.205937
H 1.519589 -0.491799 1.486795
H 1.134232 1.106824 0.786448
H -3.377132 -3.295464 -0.068777
H -2.067538 -4.053082 0.848488
H 2.473648 0.150815 -2.053459
H 0.843329 -0.196386 -2.725789
H 1.131557 1.295228 -1.763461
H 2.763402 -1.790439 -0.817829
H 1.428979 -2.534099 0.124066
H 1.300329 -2.392551 -1.665301
H -3.493677 0.622363 -2.090443
H -1.988945 1.791134 1.822592
H 3.835812 -1.403365 1.405805
H 2.891816 2.483665 -0.322580
H -5.821386 1.104929 -1.334726
H -4.318018 2.283222 2.567589
H 6.270208 -0.877650 1.243541
H 5.327304 3.002225 -0.472538
H -6.249246 1.926025 1.000605
H 7.026734 1.321444 0.297043


