%chk=000040582.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040582

0 1
 N  -0.3546000     -0.5479000      0.3189000    
 C    1.545700      0.2039000      -1.128400    
 C    1.991000     -0.9740000       1.057000    
 C    3.907300     -0.4359000     -0.4989000    
 C    2.734700       1.419300      0.7398000    
 C    1.005700     -0.8489000     -0.1304000    
 C    2.909900     -0.2798000      -1.660400    
 C    1.745700       1.564900     -0.4299000    
 C    3.353100      -1.452300      0.5149000    
 C    2.189200      0.3917000       1.746800    
 C    4.086500      0.9238000      0.1975000    
 C   -1.269700     -0.5013000     -0.8101000    
 C   -2.675500     -0.1942000     -0.3815000    
 C   -3.538300      -1.234500     -5.7000000E-02
 C   -3.100600       1.127500     -0.3139000    
 C   -4.844600     -0.9493000      0.3407000    
 C   -4.406700       1.412800      8.3800003E-02
 C   -5.278600      0.3744000      0.4111000    
 H   0.9051000      0.3292000      -2.004800    
 H    1.618200      -1.704000       1.785700    
 H    4.872100     -0.7847000     -0.8835000    
 H    2.868300       2.387700       1.234600    
 H   0.9754000      -1.825700     -0.6347000    
 H    3.301300      0.4361000      -2.393900    
 H    2.791300      -1.236600      -2.183700    
 H   0.7872000       1.953800     -6.6399999E-02
 H    2.128300       2.299100      -1.149900    
 H    3.243800      -2.434700      3.9000001E-02
 H    4.061500      -1.578800       1.343100    
 H    2.887300      0.2860000       2.586500    
 H    1.242300      0.7477000       2.169900    
 H    4.808800      0.8325000       1.017900    
 H    4.498000       1.655400     -0.5087000    
 H  -0.6555000      -1.265400      0.9784000    
 H   -1.260700      -1.452500      -1.358700    
 H   -1.004700      0.2737000      -1.535000    
 H   -3.210400      -2.269200     -0.1067000    
 H   -2.429900       1.945000     -0.5637000    
 H   -5.523500      -1.757700      0.5960000    
 H   -4.744600       2.443500      0.1395000    
 H   -6.295500      0.5967000      0.7211000    


%chk=000040582-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040582

0 1
N -0.319611 -0.465036 0.204491
C 1.667805 0.108720 -1.252969
C 1.985668 -0.818866 1.082401
C 4.003481 -0.425100 -0.405333
C 2.723685 1.549538 0.551037
C 1.064190 -0.842184 -0.172637
C 3.073391 -0.422310 -1.648958
C 1.790083 1.549370 -0.690365
C 3.392033 -1.344835 0.686793
C 2.111340 0.626385 1.639839
C 4.128652 1.020707 0.149991
C -1.360839 -0.771123 -0.800758
C -2.750521 -0.364502 -0.322997
C -3.876353 -1.176757 -0.607979
C -2.943922 0.845872 0.392093
C -5.172368 -0.785329 -0.199492
C -4.236691 1.236643 0.805484
C -5.356901 0.423998 0.509166
H 1.016955 0.114681 -2.150175
H 1.549121 -1.482860 1.859215
H 5.005025 -0.804019 -0.691054
H 2.813449 2.580483 0.947442
H 1.088347 -1.883362 -0.593112
H 3.503653 0.219001 -2.443950
H 2.993102 -1.447673 -2.064857
H 0.786874 1.920653 -0.408069
H 2.194073 2.222914 -1.473143
H 3.322176 -2.386324 0.312543
H 4.048423 -1.361975 1.580010
H 2.754714 0.619914 2.543035
H 1.116590 1.006875 1.938667
H 4.804777 1.032004 1.029102
H 4.578667 1.683078 -0.617126
H -0.572695 -0.860623 1.121879
H -1.374195 -1.851819 -1.093090
H -1.115616 -0.209035 -1.724504
H -3.738195 -2.120367 -1.151046
H -2.068491 1.463225 0.620716
H -6.033054 -1.424583 -0.427557
H -4.372709 2.174266 1.357014
H -6.359813 0.727655 0.830252


