%chk=000064033.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064033

0 1
 O    5.085700      -1.141100     -4.0100001E-02
 O  -0.8749000       2.270100     -9.1799997E-02
 N    2.058500      0.5508000     -0.2211000    
 N    4.496200     -0.4182000       1.074100    
 N  -0.1833000      0.2070000     -0.9290000    
 N   -1.621600      -1.684300     -0.8423000    
 C    2.203300     -0.8658000      0.1333000    
 C    3.363200       1.135400     -0.5524000    
 C    3.186500      -1.038700       1.298000    
 C    4.347600      0.9656000      0.6118000    
 C    1.119600      0.7152000      -1.329200    
 C   -1.087200       1.083400     -0.3225000    
 C  -0.5014000      -1.120100      -1.153000    
 C   -2.385000      0.4747000      4.9899999E-02
 C   -2.597100     -0.8829000     -0.2258000    
 C   -3.377400       1.244900      0.6651000    
 C   -3.823100      -1.458500      0.1259000    
 C   -4.593200      0.6559000       1.008900    
 C   -4.816300     -0.6933000      0.7401000    
 H    2.532700      -1.463400     -0.7266000    
 H    1.266000      -1.286800      0.5066000    
 H    3.248400       2.208300     -0.7491000    
 H    3.776500      0.6817000      -1.463000    
 H    2.750900     -0.6021000       2.206600    
 H    3.318900      -2.106400       1.513000    
 H    5.328300       1.364000      0.3247000    
 H    4.012000       1.577700       1.459300    
 H    1.021900       1.775600      -1.589100    
 H    1.458400      0.1771000      -2.223900    
 H   0.2825000      -1.704200      -1.658900    
 H    5.896200      -1.463800      0.3890000    
 H   -3.222500       2.297800      0.8829000    
 H   -4.012700      -2.509800     -7.7000000E-02
 H   -5.367500       1.249000       1.486900    
 H   -5.764200      -1.150700       1.008700    


%chk=000064033-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064033

0 1
O 5.474551 -0.113199 0.361054
O -0.340303 1.983971 -0.334061
N 2.132258 -0.025985 -0.589424
N 4.314734 -0.140872 1.352847
N -0.258735 -0.211295 -1.159142
N -2.063559 -1.795026 -0.885685
C 2.889067 -1.284087 -0.426377
C 2.918715 1.197698 -0.312567
C 3.505025 -1.344651 0.990581
C 3.529754 1.110098 1.101890
C 1.150041 0.035050 -1.645894
C -0.909976 0.857790 -0.468968
C -0.865681 -1.453946 -1.326440
C -2.254487 0.513190 0.031709
C -2.784865 -0.802551 -0.187506
C -3.021401 1.481556 0.731438
C -4.079958 -1.121326 0.307147
C -4.298969 1.152126 1.212245
C -4.826606 -0.153779 0.998763
H 3.705057 -1.376955 -1.181107
H 2.204449 -2.144245 -0.551150
H 2.235574 2.063100 -0.359426
H 3.740495 1.337036 -1.051966
H 2.695118 -1.398009 1.742716
H 4.149584 -2.232998 1.097521
H 4.193314 1.969470 1.294194
H 2.718808 1.111588 1.854631
H 1.140754 1.039588 -2.101439
H 1.324872 -0.721747 -2.438733
H -0.277594 -2.194780 -1.880839
H 6.253622 -0.131898 0.975670
H -2.587803 2.475903 0.880640
H -4.464239 -2.130010 0.128487
H -4.891811 1.897760 1.752451
H -5.823907 -0.404466 1.376740


