%chk=000002218.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002218

0 1
 N  -0.1151000     -0.6672000     -0.3212000    
 N   -4.446400     -0.1373000      3.8000001E-03
 C   0.7413000      -1.840400     -0.2945000    
 C    1.783800      -1.746600      -1.425900    
 C    1.526600      -1.888900       1.031200    
 C    2.938000      -1.096500     -0.7258000    
 C    2.792900      -1.177500      0.6634000    
 C   -1.553200     -0.8648000     -0.4729000    
 C   -2.246500     -0.8571000      0.8891000    
 C   0.4171000      0.6182000     -0.1922000    
 C    4.057600     -0.5126000      -1.294100    
 C    3.764600     -0.6765000       1.513400    
 C   -3.756000      -1.113500      0.8376000    
 C    5.037100      6.2000002E-03 -0.4446000    
 C    4.891700     -7.5400002E-02  0.9492000    
 C   0.8169000       1.339200      -1.325700    
 C   0.5589000       1.204800       1.072800    
 C   -5.876100     -0.4435000     -7.2899997E-02
 C   -4.245000       1.217400      0.5212000    
 C    1.348700       2.622200      -1.196600    
 C    1.090800       2.487900       1.201800    
 C   -6.109100      -1.846200     -0.6080000    
 C   -4.904100       2.251500     -0.3758000    
 C    1.485600       3.196600      6.6900000E-02
 H   0.1384000      -2.749100     -0.4069000    
 H    2.091400      -2.753100      -1.734000    
 H    1.443100      -1.204000      -2.310400    
 H    1.004300      -1.444400       1.881100    
 H    1.775000      -2.927400       1.280600    
 H   -1.960600     -7.7799998E-02  -1.119000    
 H   -1.759500      -1.811100     -0.9879000    
 H   -2.026000      5.8499999E-02   1.446100    
 H   -1.803300      -1.656700       1.499500    
 H    4.176300     -0.4571000      -2.370800    
 H    3.658300     -0.7467000       2.590600    
 H   -3.865100      -2.127800      0.4397000    
 H   -4.155300      -1.121700       1.860200    
 H    5.923400      0.4733000     -0.8654000    
 H    5.666900      0.3294000       1.594200    
 H   0.6968000      0.9221000      -2.322000    
 H   0.2476000      0.6806000       1.972100    
 H   -6.376500      0.2284000     -0.7777000    
 H   -6.371800     -0.3339000      0.8999000    
 H   -3.183900       1.483000      0.5283000    
 H   -4.617900       1.324100       1.547600    
 H    1.651300       3.176100      -2.080400    
 H    1.195000       2.936300       2.185400    
 H   -5.512000      -2.045600      -1.504700    
 H   -5.904400      -2.619600      0.1388000    
 H   -7.162700      -1.959500     -0.8884000    
 H   -4.549200       3.252200     -0.1038000    
 H   -5.992800       2.268300     -0.2665000    
 H   -4.653400       2.093100      -1.430400    
 H    1.898300       4.196100      0.1673000    


%chk=000002218-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002218

0 1
N -0.147388 -0.420190 -0.259617
N -4.466860 -0.118304 0.188129
C 0.987894 -1.286588 0.119488
C 2.079046 -1.489041 -1.001146
C 1.759721 -0.870044 1.430086
C 3.396092 -1.517528 -0.244509
C 3.216367 -1.170392 1.121453
C -1.493618 -1.026093 -0.236651
C -2.244733 -0.866702 1.111804
C -0.003959 0.960366 -0.506113
C 4.682179 -1.823318 -0.738604
C 4.322188 -1.127288 1.997083
C -3.751001 -1.174920 0.962003
C 5.791296 -1.781621 0.140116
C 5.612086 -1.435216 1.501716
C -1.151691 1.785134 -0.748699
C 1.278681 1.601303 -0.536223
C -5.639189 -0.652508 -0.561617
C -4.827991 1.037856 1.059713
C -1.012636 3.159354 -1.027642
C 1.396023 2.978198 -0.813249
C -5.240419 -1.442875 -1.822172
C -5.099837 2.338203 0.280397
C 0.258260 3.777481 -1.066768
H 0.542900 -2.278048 0.315281
H 1.895215 -2.422062 -1.565122
H 2.043186 -0.665101 -1.736995
H 1.602181 0.201126 1.654883
H 1.387402 -1.435505 2.304450
H -2.119214 -0.589800 -1.036045
H -1.390694 -2.102864 -0.472187
H -2.107092 0.167708 1.478450
H -1.801651 -1.537846 1.874944
H 4.824491 -2.092332 -1.792084
H 4.187172 -0.858889 3.051671
H -3.866065 -2.137052 0.427427
H -4.213823 -1.317303 1.969707
H 6.793716 -2.020467 -0.233282
H 6.476962 -1.407425 2.174456
H -2.158724 1.358259 -0.715393
H 2.195173 1.036142 -0.351038
H -6.259380 0.207009 -0.872830
H -6.286113 -1.287561 0.096478
H -3.979342 1.215040 1.745671
H -5.710144 0.791998 1.705406
H -1.915999 3.754132 -1.212639
H 2.396504 3.426867 -0.831414
H -4.642700 -0.805380 -2.497018
H -4.641092 -2.339684 -1.580417
H -6.142699 -1.782720 -2.364085
H -5.299306 3.168089 0.983514
H -5.974635 2.252943 -0.389008
H -4.223344 2.605451 -0.335124
H 0.358403 4.846010 -1.283333


