%chk=000038521.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038521

0 1
 O   0.3477000      1.0600000E-02  1.5699999E-02
 O    1.566500       2.004800      0.2378000    
 N   -2.496300     -0.3416000      0.3899000    
 N   -4.325700      -1.765100      0.4431000    
 N   -4.493200      8.7300003E-02 -0.8744000    
 C    1.668800      0.5806000      6.6500001E-02
 C    2.434400     -2.2000000E-03   1.258500    
 C    2.387900      0.2802000      -1.252500    
 C    2.720300      -1.492500       1.085800    
 C    2.675900      -1.209900      -1.425400    
 C    3.438500      -1.776100     -0.2307000    
 C  -0.5191000       1.061100      0.4505000    
 C   0.1943000       2.304300     -1.9300001E-02
 C   -1.902600      0.8866000     -0.1381000    
 C   -3.697400     -0.6280000     -7.4999998E-03
 H    1.860300      0.1457000       2.181600    
 H    3.377600      0.5425000       1.394200    
 H    3.326600      0.8470000      -1.299200    
 H    1.779100      0.6247000      -2.097700    
 H    1.779500      -2.055600       1.118100    
 H    3.331900      -1.848500       1.922500    
 H    3.257000      -1.367700      -2.341000    
 H    1.733300      -1.756700      -1.549900    
 H    4.443000      -1.336100     -0.1989000    
 H    3.567700      -2.857200     -0.3546000    
 H  -0.5518000       1.024400       1.547000    
 H   7.9700001E-02   2.472500      -1.095900    
 H  -0.1077000       3.206000      0.5198000    
 H   -1.828100      0.8149000      -1.230400    
 H   -2.519000       1.754400      0.1246000    
 H   -3.865500      -2.396200       1.090000    
 H   -5.264700      -2.005700      0.1449000    
 H   -5.424300     -0.2352000      -1.115600    
 H   -4.185100      0.9529000      -1.302600    


%chk=000038521-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038521

0 1
O 0.254071 0.193924 -0.169601
O 1.628952 2.103330 0.110444
N -2.717106 0.053157 0.702046
N -4.119419 -1.823034 0.594626
N -4.096173 -0.397355 -1.263069
C 1.664698 0.613967 -0.059664
C 2.344035 -0.008559 1.175340
C 2.379114 0.255372 -1.367728
C 2.501042 -1.539909 1.013496
C 2.538779 -1.277300 -1.521908
C 3.251914 -1.892198 -0.293311
C -0.545262 1.203938 0.571181
C 0.216031 2.509511 0.253257
C -1.991210 1.159311 0.065322
C -3.590784 -0.653876 0.025325
H 1.755130 0.235278 2.079190
H 3.336293 0.469384 1.292338
H 3.373136 0.742310 -1.351099
H 1.807772 0.685809 -2.209536
H 1.493796 -2.000121 0.990615
H 3.033216 -1.955303 1.890812
H 3.100922 -1.500691 -2.449058
H 1.534666 -1.732185 -1.628402
H 4.290283 -1.503021 -0.237561
H 3.324826 -2.991195 -0.406019
H -0.532444 0.973599 1.654721
H -0.142082 2.959078 -0.695933
H 0.153355 3.254306 1.065405
H -1.938048 1.112777 -1.049814
H -2.472479 2.126049 0.335636
H -3.719043 -2.077701 1.496086
H -5.094202 -2.064601 0.421536
H -4.387901 -1.178081 -1.848315
H -3.846379 0.470231 -1.729557


