%chk=000017807.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017807

0 1
 N   -2.688600     -0.6125000      0.1192000    
 N    1.403700       2.806800      -2.294900    
 C   0.4964000       1.599600     -0.1164000    
 C  -0.7975000      0.8165000     -0.5289000    
 C   -1.505200      8.4600002E-02  0.6222000    
 C   -3.648100      0.3461000     -0.4467000    
 C   -3.304900      -1.414100       1.185800    
 C   -4.870500     -0.3709000      -1.022100    
 C   -4.516000      -2.188600      0.6639000    
 C   -5.538000      -1.255200      2.4900001E-02
 C   6.4800002E-02   2.721800      0.8862000    
 C    1.510200      0.6505000      0.5482000    
 C    2.022000     -0.4295000     -0.1471000    
 C  -0.9996000       3.686400      0.3636000    
 C    1.014800       2.273800      -1.339700    
 C    1.852600      0.9551000       1.846200    
 C    2.950100      -1.264200      0.5200000    
 C    2.765600      0.1345000       2.502100    
 C    1.660900     -0.7254000      -1.471700    
 C    3.311600     -0.9683000       1.844500    
 C    3.489700      -2.369900     -0.1571000    
 C    2.206700      -1.828300      -2.129000    
 C    3.119400      -2.649100      -1.472900    
 H  -0.6590000      9.2799999E-02  -1.331800    
 H   -1.457700       1.555100     -0.9917000    
 H   -1.789300      0.7785000       1.420300    
 H  -0.8197000     -0.6526000       1.054800    
 H   -3.237000      0.9001000      -1.293300    
 H   -3.967600       1.077200      0.3075000    
 H   -3.610300     -0.7774000       2.026700    
 H   -2.579000      -2.139400       1.573200    
 H   -4.567700     -0.9856000      -1.879600    
 H   -5.591300      0.3655000      -1.395500    
 H   -4.984100      -2.741600       1.486000    
 H   -4.187100      -2.930800     -7.4500002E-02
 H   -5.993400     -0.6258000      0.7992000    
 H   -6.345000      -1.837500     -0.4332000    
 H  -0.3373000       2.319100       1.823100    
 H   0.9333000       3.349700       1.134300    
 H   -1.121300       4.510600       1.075800    
 H  -0.7318000       4.130400     -0.5988000    
 H   -1.978900       3.208200      0.2727000    
 H    1.502900       1.787800       2.438500    
 H    3.057300      0.3523000       3.525500    
 H    1.043300     -0.1048000      -2.103100    
 H    4.023900      -1.595600       2.376400    
 H    4.205800      -3.024200      0.3357000    
 H    1.936900      -2.035000      -3.160700    
 H    3.548000      -3.504500      -1.986900    


%chk=000017807-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017807

0 1
N -2.798036 -0.443112 0.211081
N 1.560980 2.834367 -2.258912
C 0.477033 1.686490 -0.091200
C -0.866572 0.975504 -0.522008
C -1.701191 0.447116 0.665377
C -3.891997 0.298763 -0.470268
C -3.327697 -1.276015 1.324276
C -4.958012 -0.663857 -1.031547
C -4.369256 -2.291569 0.812958
C -5.525184 -1.568415 0.085044
C 0.170636 2.908789 0.856904
C 1.457453 0.658412 0.554830
C 2.031732 -0.439248 -0.209231
C -0.765037 3.977287 0.256059
C 1.097441 2.286009 -1.304814
C 1.764275 0.755683 1.919492
C 2.874865 -1.405932 0.477328
C 2.599850 -0.192283 2.584455
C 1.829283 -0.633440 -1.620466
C 3.140816 -1.261096 1.877509
C 3.446649 -2.502690 -0.249635
C 2.403730 -1.707622 -2.302826
C 3.216577 -2.659932 -1.615465
H -0.642129 0.112812 -1.170719
H -1.451407 1.692440 -1.125364
H -2.100704 1.299948 1.273613
H -1.041043 -0.144447 1.327429
H -3.462606 0.892938 -1.296646
H -4.382403 1.020134 0.239403
H -3.801644 -0.637232 2.118204
H -2.477097 -1.806389 1.792066
H -4.491801 -1.291345 -1.815307
H -5.766276 -0.076379 -1.508310
H -4.752372 -2.885048 1.665393
H -3.869925 -2.989393 0.113479
H -6.086215 -0.946206 0.813123
H -6.240600 -2.301321 -0.333389
H -0.282320 2.523031 1.787827
H 1.131998 3.381197 1.134087
H -0.868697 4.820542 0.962528
H -0.368318 4.381477 -0.692071
H -1.778411 3.580982 0.064561
H 1.362907 1.577451 2.516316
H 2.806050 -0.067827 3.652872
H 1.239844 0.083463 -2.195546
H 3.779443 -1.999817 2.375949
H 4.076560 -3.216629 0.294578
H 2.233770 -1.816195 -3.379431
H 3.659055 -3.499195 -2.162689


