%chk=000072060.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072060

0 1
 O  -0.9477000      0.8637000      -1.178000    
 O   -3.699300       1.331400     -0.8119000    
 N   -2.346300     -0.1449000      0.3901000    
 N   -4.585500      5.9900001E-02  0.8847000    
 C  -2.7999999E-03 -0.7926000      0.3264000    
 C   8.9999998E-04  -2.177400     -0.3527000    
 C    1.332400     -7.6399997E-02  0.2142000    
 C   -1.124400      7.7699997E-02 -0.2497000    
 C    1.028600      -3.130800      0.2436000    
 C    2.094900     -0.2558000     -0.9234000    
 C    1.746800      0.7347000       1.252500    
 C    3.320700      0.4018000      -1.026800    
 C    2.972500       1.392400       1.149100    
 C    3.759500       1.225800      9.3999999E-03
 C   -3.550500      0.4904000      7.2600000E-02
 H  -0.2077000     -0.9532000       1.394700    
 H   0.1228000      -2.111900      -1.439600    
 H  -0.9904000      -2.629700     -0.2123000    
 H   0.8998000      -4.129500     -0.1869000    
 H    2.057600      -2.821800      4.3699998E-02
 H   0.8995000      -3.217000       1.327400    
 H    1.779500     -0.8635000      -1.763300    
 H    1.139700      0.8723000       2.142200    
 H    3.930900      0.2777000      -1.916800    
 H    3.313800       2.035000       1.955400    
 H   -2.376400     -0.8265000       1.143500    
 H    4.713100       1.739300     -7.1800001E-02
 H   -4.441900     -0.6352000       1.609400    
 H   -5.524400      0.4290000      0.7780000    


%chk=000072060-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072060

0 1
O -2.262935 -2.030372 -0.860677
O -4.293644 -0.034088 -0.028238
N -1.920550 0.042906 0.195413
N -3.194812 2.005898 0.229230
C -0.096923 -1.640583 0.274442
C 0.458155 -2.803326 -0.593828
C 0.864332 -0.455593 0.369992
C -1.530012 -1.248479 -0.210841
C 1.697347 -3.475453 0.029785
C 1.244646 0.265073 -0.796270
C 1.408961 -0.053661 1.617014
C 2.143343 1.350287 -0.715098
C 2.311287 1.032956 1.702298
C 2.681148 1.739458 0.535722
C -3.230580 0.616058 0.105162
H -0.250469 -2.039765 1.300865
H 0.703079 -2.420116 -1.603142
H -0.354793 -3.538061 -0.732700
H 2.057940 -4.299032 -0.612552
H 2.529069 -2.759314 0.161026
H 1.460319 -3.904803 1.022133
H 0.835233 -0.028271 -1.770702
H 1.132998 -0.603014 2.525733
H 2.427646 1.891291 -1.624782
H 2.726042 1.321942 2.674433
H -1.181439 0.610950 0.621934
H 3.382136 2.579138 0.597462
H -2.340482 2.555128 0.151554
H -4.091341 2.487747 0.238335


