%chk=000045406.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045406

0 1
 N  -7.1999999E-03   1.390600       2.794800    
 C   2.3600001E-02  2.6799999E-02  0.5740000    
 C  -0.1854000      7.1800001E-02   2.177200    
 C    1.350600      0.5085000      9.2600003E-02
 C   -1.255700      0.8568000      8.7499999E-02
 C  -0.1350000      -1.490600      0.1174000    
 C    1.454100       1.151300      -1.141000    
 C   -1.056000       2.165600     -0.1414000    
 C  -8.9100003E-02  -1.722700      -1.208900    
 C    2.488400      0.3158000      0.8763000    
 C   -2.396000      0.1578000     -4.1000001E-02
 C  -0.3001000      -2.395400       1.102000    
 C    2.695300       1.601900      -1.590800    
 C   -2.171000       2.888700     -0.5658000    
 C  -0.2278000      -3.052100      -1.608500    
 C    3.729500      0.7663000      0.4264000    
 C   -3.511000      0.8809000     -0.4651000    
 C  -0.4391000      -3.724600      0.7023000    
 C    3.833200       1.409600     -0.8071000    
 C   -3.398600       2.246200     -0.7278000    
 C  -0.4026000      -4.053100     -0.6529000    
 H   -1.189600     -0.2708000       2.459500    
 H   0.5436000     -0.5648000       2.690200    
 H   0.6157000       1.276100      -1.819100    
 H  -0.1406000       2.711600      4.5299999E-02
 H   1.8500000E-02 -0.9632000      -1.970800    
 H    2.457000     -0.2005000       1.829500    
 H   -2.537800     -0.8891000      0.1886000    
 H  -0.3499000      -2.239400       2.167100    
 H   0.9355000       1.733600       2.620000    
 H  -9.7700000E-02   1.304300       3.806400    
 H    2.778800       2.090300      -2.557400    
 H   -2.088200       3.955400     -0.7529000    
 H  -0.2062000      -3.307300      -2.664100    
 H    4.616800      0.6109000       1.033300    
 H   -4.469500      0.3833000     -0.5815000    
 H  -0.5780000      -4.505100       1.445000    
 H    4.800300       1.756300      -1.159300    
 H   -4.268200       2.810300      -1.052100    
 H  -0.5127000      -5.087800     -0.9641000    


%chk=000045406-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045406

0 1
N 0.735270 1.469807 2.641842
C 0.031106 0.025519 0.648662
C 0.227610 0.150426 2.214589
C 1.312541 0.577483 -0.035197
C -1.235562 0.790289 0.170371
C -0.159405 -1.490859 0.346329
C 1.271841 1.573929 -1.041410
C -1.687678 1.959456 0.838158
C 0.572846 -2.175670 -0.655343
C 2.588340 0.085863 0.362541
C -1.946849 0.356862 -0.980367
C -1.144467 -2.223194 1.064518
C 2.461020 2.062722 -1.632593
C -2.827715 2.658134 0.380429
C 0.345323 -3.547209 -0.918457
C 3.776845 0.572441 -0.221787
C -3.081847 1.059716 -1.442951
C -1.371657 -3.591616 0.809343
C 3.719248 1.566833 -1.227050
C -3.531573 2.214526 -0.762534
C -0.623705 -4.265207 -0.184663
H -0.753038 -0.003281 2.700476
H 0.878719 -0.696563 2.533678
H 0.307028 1.976954 -1.362985
H -1.112160 2.313734 1.701367
H 1.327544 -1.639491 -1.239121
H 2.651523 -0.695459 1.129667
H -1.618736 -0.542379 -1.512636
H -1.760441 -1.715247 1.815535
H 1.621298 1.729025 2.194411
H 0.771930 1.581081 3.660174
H 2.399866 2.834583 -2.408344
H -3.160945 3.555822 0.914742
H 0.925785 -4.049982 -1.700658
H 4.744731 0.174565 0.104150
H -3.615347 0.702176 -2.331379
H -2.137305 -4.129917 1.379762
H 4.639716 1.947478 -1.683788
H -4.414168 2.758502 -1.118439
H -0.799630 -5.327650 -0.387245


