%chk=000064036.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064036

0 1
 O   0.8073000      -2.094200      0.1984000    
 O   -5.934500     -0.9774000     -8.8699996E-02
 O   -5.682400       1.280700     -0.1530000    
 N    1.255100      0.2184000      0.2072000    
 N  -0.5704000       1.741800      0.1191000    
 C    2.674900     -2.2000000E-03  0.1736000    
 C   -1.024300     -0.6595000      0.1517000    
 C   0.7025000       1.501400      0.1953000    
 C   0.4286000     -0.9253000      0.2081000    
 C   -1.460300      0.6637000      8.4700003E-02
 C    3.347000     -9.2399999E-02  -1.039800    
 C   -1.942700      -1.716000      0.1398000    
 C    3.362600     -0.1228000       1.375900    
 C   -2.833900      0.9212000      5.5999998E-03
 C    1.595700       2.717200      0.3351000    
 C   -3.754100     -0.1280000     -6.8999999E-03
 C    4.725400     -0.3062000      -1.051300    
 C   -3.308100      -1.445800      6.1299998E-02
 C    2.626300      3.5700001E-02  -2.342600    
 C    4.741000     -0.3366000       1.364400    
 C    5.422400     -0.4283000      0.1507000    
 C   -5.178200      0.1546000     -8.8500001E-02
 H   -1.615000      -2.750800      0.1882000    
 H    2.841100     -5.2600000E-02   2.326700    
 H   -3.176200       1.953200     -4.2500000E-02
 H    2.318200       2.748000     -0.4845000    
 H    2.137200       2.668500       1.283800    
 H    1.004300       3.637300      0.3145000    
 H    5.272200     -0.3798000      -1.987600    
 H   -3.988600      -2.292500      5.4600000E-02
 H    3.307300     -6.5099999E-02  -3.194900    
 H    1.867700     -0.7472000      -2.441900    
 H    2.148000       1.016600      -2.426000    
 H    5.283700     -0.4315000       2.300300    
 H    6.495700     -0.5947000      0.1419000    
 H   -6.893000     -0.7760000     -0.1445000    


%chk=000064036-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064036

0 1
O 0.935501 -2.075427 -0.200192
O -6.061604 -0.961601 -0.010525
O -5.760923 1.327339 0.234576
N 1.238951 0.237790 0.107635
N -0.614121 1.777908 0.238569
C 2.685610 0.035362 0.144423
C -1.032960 -0.659003 -0.011541
C 0.689570 1.538335 0.224137
C 0.417007 -0.932530 -0.049408
C -1.496782 0.687514 0.135380
C 3.405228 -0.151597 -1.065906
C -1.959287 -1.729004 -0.121076
C 3.328838 0.017811 1.400031
C -2.893552 0.937083 0.171044
C 1.643759 2.703701 0.325045
C -3.804069 -0.132637 0.064012
C 4.807711 -0.334168 -0.967903
C -3.336545 -1.473900 -0.082958
C 2.700713 -0.185088 -2.406891
C 4.725714 -0.168085 1.473475
C 5.466324 -0.340944 0.282111
C -5.260233 0.184844 0.108042
H -1.566287 -2.744397 -0.232734
H 2.731515 0.134379 2.310986
H -3.253144 1.963958 0.281618
H 2.382643 2.698649 -0.495893
H 2.215653 2.682442 1.269796
H 1.051142 3.628582 0.286220
H 5.386134 -0.480607 -1.887511
H -4.064147 -2.285083 -0.163901
H 3.426999 -0.186651 -3.236613
H 2.082903 -1.098637 -2.490066
H 2.024365 0.679032 -2.544070
H 5.226340 -0.185478 2.447103
H 6.551103 -0.487496 0.326154
H -7.017569 -0.688997 0.025031


