%chk=000071899.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071899

0 1
 O   0.2241000     -0.7062000      0.6621000    
 N    2.752200      0.4309000     -0.9378000    
 N    3.397600     -0.9946000      0.7146000    
 C   -1.129300       1.778800      0.2705000    
 C   -1.793100      0.4540000      8.7499999E-02
 C   -1.096000     -0.7315000      0.2879000    
 C    4.057500      0.9383000     -0.6406000    
 C    2.470200     -0.6326000     -0.1352000    
 C    4.520000     -4.2900000E-02  0.4471000    
 C    1.151300      -1.329300     -0.2105000    
 C   -1.775700       2.609100       1.394700    
 C   -1.089600       2.600700      -1.031000    
 C   -3.134700      0.4100000     -0.2917000    
 C   -1.721600      -1.960700      0.1145000    
 C   -3.769800     -0.8193000     -0.4676000    
 C   -3.063200      -2.004700     -0.2645000    
 H  -8.2999997E-02   1.635700      0.5671000    
 H    4.008300       1.962600     -0.2598000    
 H    4.712300      0.9072000      -1.516100    
 H    5.400300     -0.6054000      0.1180000    
 H    4.777700      0.4880000       1.369600    
 H    1.282600      -2.374300      9.1399997E-02
 H   0.8044000      -1.301400      -1.251400    
 H   -2.806400       2.892300       1.156000    
 H   -1.209000       3.531100       1.565000    
 H   -1.791100       2.045900       2.334500    
 H  -0.6097000       2.031500      -1.835000    
 H  -0.5168000       3.523100     -0.8849000    
 H   -2.092100       2.882300      -1.370500    
 H    2.130700      0.8435000      -1.622600    
 H   -3.705900       1.319500     -0.4558000    
 H   -1.185400      -2.891200      0.2777000    
 H   -4.814600     -0.8539000     -0.7623000    
 H   -3.558300      -2.961800     -0.3997000    


%chk=000071899-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071899

0 1
O 0.343894 -0.223712 -0.003745
N 2.955926 0.431135 -0.626502
N 3.691758 -1.425811 0.535081
C -1.366046 2.048291 0.048030
C -1.908199 0.620993 -0.077246
C -1.038088 -0.508135 -0.098309
C 4.361665 0.797215 -0.326515
C 2.674729 -0.789059 -0.009968
C 4.898902 -0.561065 0.267727
C 1.282249 -1.358118 -0.063089
C -1.882943 2.737521 1.339357
C -1.710099 2.895469 -1.206661
C -3.297759 0.373528 -0.175079
C -1.544730 -1.826670 -0.204844
C -3.821055 -0.934697 -0.286687
C -2.938488 -2.035386 -0.299185
H -0.266018 1.982322 0.123332
H 4.413843 1.622524 0.412483
H 4.905999 1.104615 -1.236435
H 5.557374 -1.082855 -0.452307
H 5.468140 -0.417662 1.201818
H 1.141436 -2.045754 0.790078
H 1.129721 -1.915572 -1.010455
H -2.984064 2.840579 1.325962
H -1.450478 3.751022 1.435886
H -1.608329 2.156333 2.237784
H -1.320659 2.424314 -2.127297
H -1.272600 3.908037 -1.121978
H -2.803909 3.010413 -1.324086
H 2.220649 1.106620 -0.832520
H -3.986888 1.226401 -0.162958
H -0.873419 -2.690071 -0.209925
H -4.902380 -1.091271 -0.360016
H -3.326231 -3.056795 -0.380532


