%chk=000047641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047641

0 1
 N   0.5435000       2.024600     -0.9387000    
 C   0.7230000       1.352600      0.3467000    
 C    2.104200      0.7957000      0.5051000    
 C    2.432800     -0.5076000      9.7499996E-02
 C    3.757000     -0.9747000      0.2745000    
 C  -0.8321000       2.501900      -1.079300    
 C    3.067200       1.626300       1.079100    
 C    1.485300       3.135800      -1.071500    
 C    1.476400      -1.357300     -0.4819000    
 C    4.713500     -0.1249000      0.8537000    
 C    4.369400       1.167000       1.252900    
 C    4.085800      -2.277700     -0.1331000    
 C   -1.819800       1.380600     -0.9470000    
 C    1.820700      -2.649100     -0.8809000    
 C    3.122900      -3.108600     -0.7067000    
 C   -2.775900       1.348700     -4.9999999E-03
 C   -3.775600      0.2795000      0.1542000    
 C   -3.536200     -0.9651000     -0.4068000    
 C   -4.937300      0.5376000      0.8642000    
 C   -4.483000      -1.977700     -0.2534000    
 C   -5.884300     -0.4750000       1.017500    
 C   -5.657200      -1.732800      0.4588000    
 H  -2.4000001E-03  0.5547000      0.5312000    
 H   0.5302000       2.058900       1.169500    
 H  -0.9683000       2.939600      -2.076300    
 H   -1.045800       3.296700     -0.3519000    
 H    2.820700       2.630400       1.414300    
 H    1.443500       3.833100     -0.2268000    
 H    1.256900       3.713000      -1.976700    
 H    2.513100       2.791700      -1.221200    
 H   0.4501000      -1.053600     -0.6616000    
 H    5.737200     -0.4632000       1.000000    
 H    5.117900       1.812600       1.703100    
 H    5.097400      -2.657600     -7.0000002E-03
 H   -1.735100      0.5985000      -1.696200    
 H    1.072900      -3.295300      -1.331500    
 H    3.390500      -4.114000      -1.018500    
 H   -2.845400       2.169500      0.7054000    
 H   -2.627200      -1.207200     -0.9485000    
 H   -5.129300       1.512400       1.304800    
 H   -4.304300      -2.958800     -0.6836000    
 H   -6.798500     -0.2844000       1.572100    
 H   -6.393800      -2.521700      0.5794000    


%chk=000047641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047641

0 1
N 0.547441 1.851178 -0.973912
C 0.837628 1.490293 0.442232
C 2.220970 0.895337 0.673410
C 2.628360 -0.350945 0.060889
C 3.933751 -0.901575 0.377528
C -0.863491 2.290721 -1.147462
C 3.102724 1.542296 1.549385
C 1.505102 2.833346 -1.524013
C 1.784109 -1.075778 -0.846828
C 4.799661 -0.198727 1.279525
C 4.391610 1.004390 1.854124
C 4.333374 -2.146677 -0.212861
C -1.853783 1.173667 -0.906733
C 2.200048 -2.288494 -1.402578
C 3.484556 -2.831894 -1.083774
C -2.939345 1.273892 -0.087722
C -3.975825 0.249759 0.157517
C -3.965346 -1.035209 -0.458975
C -5.040538 0.552087 1.053231
C -4.978428 -1.975376 -0.186499
C -6.057164 -0.387965 1.325900
C -6.031264 -1.658456 0.706856
H 0.058912 0.766200 0.753001
H 0.725938 2.384203 1.108774
H -0.959442 2.637535 -2.197166
H -1.117717 3.166004 -0.493702
H 2.793593 2.485365 2.016639
H 1.477680 3.819295 -0.993927
H 1.280854 3.008568 -2.591190
H 2.530581 2.435762 -1.448085
H 0.823697 -0.633293 -1.124802
H 5.783824 -0.623814 1.510978
H 5.051992 1.541744 2.543587
H 5.321334 -2.553560 0.035249
H -1.655994 0.252243 -1.473065
H 1.543409 -2.827722 -2.094792
H 3.798496 -3.783121 -1.528046
H -3.077780 2.219992 0.459121
H -3.161375 -1.300632 -1.154437
H -5.065897 1.536421 1.537848
H -4.951570 -2.958732 -0.669730
H -6.866294 -0.131198 2.018825
H -6.817790 -2.392034 0.915578


