%chk=000044908.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044908

0 1
 N   -4.614900      -1.031100      -1.028300    
 N    4.589800       1.011500      -1.037800    
 C  -0.6240000      0.4187000      0.1966000    
 C   0.6448000     -0.4387000      0.2386000    
 C   -1.951700     -0.3462000      0.1605000    
 C    1.937600      0.3807000      0.1856000    
 C   -3.183000      0.5670000      0.2026000    
 C    3.169800     -0.5297000      0.2719000    
 C   -4.510000     -0.2117000      0.1795000    
 C    4.524700      0.1937000      0.1730000    
 C   -5.697700      0.7479000      0.2511000    
 C    5.714700     -0.7623000      0.2066000    
 H  -0.6228000       1.080900       1.071900    
 H  -0.5781000       1.072600     -0.6837000    
 H   0.6323000      -1.044300       1.153100    
 H   0.6276000      -1.139500     -0.6052000    
 H   -1.967600     -0.9620000     -0.7463000    
 H   -1.987700      -1.035500       1.013100    
 H    1.951100      0.9574000     -0.7461000    
 H    1.956000       1.098900       1.013800    
 H   -3.142900       1.263400     -0.6452000    
 H   -3.141500       1.178400       1.113000    
 H    3.136700      -1.084200       1.218700    
 H    3.108200      -1.281100     -0.5270000    
 H   -4.545400     -0.8780000       1.049300    
 H    4.608400      0.8706000       1.031800    
 H   -6.646300      0.1996000      0.2635000    
 H   -5.652100       1.350300       1.164900    
 H   -5.714000       1.433700     -0.6034000    
 H    6.663500     -0.2151000      0.1795000    
 H    5.701500      -1.358400       1.125300    
 H    5.696900      -1.454400     -0.6426000    
 H   -4.591500     -0.4333000      -1.853800    
 H   -5.518700      -1.502200      -1.046500    
 H    4.518700      0.4141000      -1.860900    
 H    5.499500       1.467600      -1.097500    


%chk=000044908-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044908

0 1
N -4.577768 -0.812108 -1.275797
N 4.571089 0.775447 -1.314759
C -0.626275 0.455573 0.232106
C 0.626997 -0.448697 0.241013
C -1.951581 -0.338408 0.220851
C 1.952340 0.344688 0.208255
C -3.202437 0.565367 0.249959
C 3.203198 -0.558418 0.255677
C -4.532821 -0.209496 0.082171
C 4.532806 0.211044 0.059684
C -5.753916 0.694801 0.402433
C 5.755152 -0.684703 0.398784
H -0.599656 1.125495 1.117909
H -0.588958 1.118934 -0.657696
H 0.602389 -1.098164 1.141975
H 0.587706 -1.132180 -0.633323
H -2.005673 -0.980805 -0.678977
H -1.976733 -1.021117 1.096610
H 2.004415 0.965439 -0.706760
H 1.979575 1.047729 1.067658
H -3.131126 1.325036 -0.559514
H -3.235247 1.130268 1.203736
H 3.240976 -1.097017 1.224392
H 3.127344 -1.339960 -0.532292
H -4.527777 -1.054300 0.801861
H 4.531630 1.075683 0.755451
H -6.702920 0.142322 0.265363
H -5.722378 1.065128 1.445417
H -5.771950 1.575371 -0.269674
H 6.703669 -0.136666 0.242047
H 5.728480 -1.026492 1.451602
H 5.769436 -1.583128 -0.249299
H -4.544815 -0.102697 -2.019632
H -5.369274 -1.451463 -1.414264
H 4.534559 0.045693 -2.038439
H 5.361443 1.411105 -1.474928


