%chk=000086037.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086037

0 1
 O   -2.087900       1.768100     -0.4669000    
 O   -3.476800     -0.6175000     -0.1461000    
 N    4.296500      2.2900000E-02 -0.3978000    
 N    4.897100      0.4014000      -1.635300    
 C    2.101400     -0.4524000      0.6912000    
 C   0.6015000     -0.4936000      0.4652000    
 C    2.853900     -7.1000002E-02 -0.6018000    
 C    2.467300      0.4627000       1.868900    
 C  -5.4299999E-02  0.6670000      0.1007000    
 C  -6.9799997E-02  -1.690200      0.6305000    
 C   -1.433400      0.6294000     -0.1065000    
 C   -1.448500      -1.727900      0.4233000    
 C   -2.130400     -0.5682000      5.4699998E-02
 C   -2.592100       2.587200      0.5865000    
 C   -3.924600     -0.9180000      -1.466500    
 H    2.435200      -1.461600      0.9728000    
 H    2.633200     -0.8247000      -1.370300    
 H    2.480700      0.8892000     -0.9819000    
 H    2.330200       1.520800       1.619900    
 H    3.506900      0.3199000       2.181000    
 H    1.840500      0.2434000       2.741100    
 H   0.4768000       1.606300     -2.3000000E-02
 H   0.4492000      -2.599900      0.9172000    
 H   -1.985300      -2.664000      0.5513000    
 H    4.508700      0.7391000      0.2950000    
 H    4.643800       1.364100      -1.856600    
 H    5.910100      0.3993000      -1.522900    
 H   -1.773700       2.944200       1.219600    
 H   -3.320400       2.035200       1.189000    
 H   -3.091300       3.451300      0.1395000    
 H   -3.571200     -0.1620000      -2.174800    
 H   -5.017900     -0.9133000      -1.466800    
 H   -3.578600      -1.910500      -1.772000    


%chk=000086037-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086037

0 1
O -2.172753 1.806051 -0.329808
O -3.471346 -0.813482 -0.154119
N 4.412558 -0.019614 -0.434004
N 5.107786 -0.095838 -1.675449
C 2.230045 -0.271440 0.776637
C 0.721712 -0.389283 0.556149
C 2.939731 0.007236 -0.580502
C 2.586849 0.791143 1.849889
C -0.065618 0.744637 0.229873
C 0.074187 -1.647060 0.656262
C -1.452437 0.631770 0.004050
C -1.310803 -1.774508 0.409722
C -2.081751 -0.645077 0.065635
C -3.216297 2.184272 0.651445
C -3.917471 -0.489790 -1.529624
H 2.607829 -1.250650 1.129999
H 2.681619 -0.782132 -1.306339
H 2.558537 0.973100 -0.998063
H 2.343466 1.813994 1.504294
H 3.663381 0.758909 2.100708
H 2.023212 0.609049 2.782302
H 0.375889 1.744801 0.161429
H 0.661018 -2.535265 0.918191
H -1.814523 -2.744793 0.470433
H 4.756243 0.731834 0.185278
H 5.270770 0.776797 -2.193056
H 5.889376 -0.751225 -1.662203
H -2.750870 2.425113 1.626321
H -3.952759 1.370615 0.780452
H -3.699037 3.081569 0.234796
H -3.668825 0.554604 -1.791394
H -5.008112 -0.639123 -1.526503
H -3.444805 -1.179515 -2.254602


