%chk=000055379.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055379

0 1
 O   -2.352900       1.476200      -1.289000    
 N   -4.004500     -0.2799000      3.8800001E-02
 C    3.871300      0.5160000      0.2385000    
 C    4.310200     -0.2765000       1.487400    
 C    4.669700     -8.0100000E-02 -0.9346000    
 C    5.213300      -1.392300      0.9741000    
 C    5.836400     -0.8039000     -0.2794000    
 C    2.380300      0.5128000     -1.4400000E-02
 C    1.711700     -0.6925000     -0.2284000    
 C    1.674000       1.715500     -3.5799999E-02
 C  -0.3696000      0.5074000     -0.4846000    
 C   0.3368000     -0.6952000     -0.4637000    
 C   0.2990000       1.712800     -0.2707000    
 C   -2.647700     -0.7021000     -0.2914000    
 C   -1.803500      0.5054000     -0.7282000    
 C   -3.989000      0.6940000       1.131300    
 C   -4.829500      -1.434200      0.3986000    
 C   -5.389000       1.146700       1.491000    
 C   -4.916800      -2.430100     -0.7394000    
 H    4.202100       1.554300      0.3797000    
 H    3.480100     -0.6706000       2.082600    
 H    4.891300      0.3832000       2.144300    
 H    5.014000      0.6981000      -1.624300    
 H    4.085600     -0.7946000      -1.525900    
 H    4.615000      -2.275400      0.7209000    
 H    5.963500      -1.690100       1.712200    
 H    6.626200     -9.1100000E-02 -1.4900000E-02
 H    6.268200      -1.569900     -0.9297000    
 H    2.242700      -1.640300     -0.2133000    
 H    2.180300       2.662700      0.1299000    
 H  -0.1540000      -1.648000     -0.6410000    
 H  -0.2351000       2.659500     -0.2785000    
 H   -2.177100      -1.196700      0.5667000    
 H   -2.626300      -1.378900      -1.151800    
 H   -3.503100      0.2836000       2.026300    
 H   -3.435200       1.597800      0.8594000    
 H   -4.460300      -1.934900       1.302600    
 H   -5.863000      -1.129000      0.5905000    
 H   -5.968900       1.424300      0.6040000    
 H   -5.942800      0.3937000       2.060200    
 H   -5.332900       2.034800       2.131100    
 H   -5.164100      -1.942300      -1.688600    
 H   -3.993700      -3.004100     -0.8658000    
 H   -5.709400      -3.158100     -0.5316000    


%chk=000055379-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055379

0 1
O -2.373614 1.877272 -0.062866
N -4.164643 -0.292718 0.328379
C 4.011685 0.230584 -0.048931
C 4.679287 -0.242939 1.282507
C 4.571809 -0.789488 -1.084202
C 6.080059 -0.806440 0.875810
C 6.062638 -0.922214 -0.685133
C 2.496277 0.340684 0.002720
C 1.683053 -0.791064 0.284658
C 1.847260 1.582887 -0.227663
C -0.363684 0.560283 0.099914
C 0.280000 -0.687281 0.332773
C 0.445331 1.694033 -0.179478
C -2.717315 -0.511061 0.398137
C -1.857432 0.738724 0.125440
C -4.696422 0.533522 1.447385
C -4.923011 -1.552720 0.115705
C -5.993237 1.273961 1.071702
C -4.804665 -2.101258 -1.319927
H 4.425009 1.227590 -0.305348
H 4.060162 -1.036674 1.740896
H 4.744218 0.577687 2.018719
H 4.426379 -0.456875 -2.127414
H 4.050975 -1.760339 -0.969469
H 6.253654 -1.790781 1.346986
H 6.895990 -0.142300 1.212505
H 6.641249 -0.092599 -1.133716
H 6.513523 -1.864201 -1.044813
H 2.154333 -1.763834 0.469766
H 2.454991 2.469455 -0.446734
H -0.309102 -1.583232 0.555585
H -0.057323 2.650788 -0.357127
H -2.385494 -0.931752 1.387860
H -2.433512 -1.269439 -0.356382
H -4.859329 -0.089809 2.364443
H -3.933220 1.289384 1.694256
H -4.621563 -2.344780 0.850567
H -5.986790 -1.333505 0.316236
H -5.803655 1.924128 0.201197
H -6.815171 0.580560 0.815001
H -6.336467 1.899669 1.916884
H -5.132970 -1.335357 -2.043407
H -3.768847 -2.389898 -1.577570
H -5.437119 -3.000650 -1.440751


