%chk=000086420.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086420

0 1
 O   -6.731900      0.6993000      0.1423000    
 O   -4.948100       2.098300      5.8499999E-02
 N    3.377900     -0.5200000      4.0100001E-02
 N    4.961700       1.007700      0.1558000    
 N    3.626700      0.7031000      0.1149000    
 C   -2.238000      -1.352800     -0.1122000    
 C   -3.073400     -6.5899998E-02 -5.4099999E-02
 C  -0.7481000      -1.132900     -7.2400004E-02
 C   -4.586200     -0.3060000     -6.1400000E-02
 C  -5.1199999E-02 -0.9629000      -1.259700    
 C  -9.6199997E-02  -1.102300       1.151800    
 C    1.328100     -0.7577000      -1.222100    
 C    1.283000     -0.8970000       1.189400    
 C    1.995100     -0.7248000      2.4999999E-03
 C   -5.403700      0.9633000      3.5700001E-02
 C    5.995900     -1.1800000E-02  0.1150000    
 C    5.308400       2.362200     -0.2240000    
 H   -2.525300      -2.009900      0.7194000    
 H   -2.495800      -1.911700      -1.021700    
 H   -2.805300      0.4996000      0.8481000    
 H   -2.807000      0.5799000     -0.9011000    
 H   -4.870700     -0.8195000     -0.9864000    
 H   -4.852400     -0.9421000      0.7905000    
 H  -0.5620000     -0.9846000      -2.218200    
 H  -0.6421000      -1.233100       2.081800    
 H    1.874300     -0.6249000      -2.152500    
 H    1.793800     -0.8734000       2.148600    
 H   -7.262200       1.520400      0.2253000    
 H    6.933700      0.4115000      0.4868000    
 H    6.128300     -0.3440000     -0.9182000    
 H    5.728100     -0.8562000      0.7562000    
 H    6.194300       2.678500      0.3336000    
 H    4.481900       3.039200      1.1800000E-02
 H    5.513200       2.388900      -1.297700    


%chk=000086420-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086420

0 1
O -6.978245 0.327377 -0.185748
O -5.316857 1.673222 -1.089499
N 3.307798 -0.070898 -0.512811
N 5.246257 0.856967 0.105134
N 3.939121 0.628666 0.410681
C -2.307790 -1.251628 0.404878
C -3.217644 -0.117989 -0.142773
C -0.828816 -0.956537 0.207589
C -4.709275 -0.434128 0.075068
C -0.150211 -1.371167 -0.966858
C -0.094768 -0.219742 1.176174
C 1.209571 -1.060752 -1.169147
C 1.263149 0.097461 0.987890
C 1.933922 -0.322118 -0.196886
C -5.634642 0.637036 -0.467240
C 5.856608 0.364910 -1.140084
C 6.005339 1.652912 1.070837
H -2.524904 -1.393566 1.482774
H -2.574496 -2.200310 -0.102581
H -2.959887 0.837161 0.351258
H -3.019056 0.032737 -1.219839
H -4.986060 -1.392826 -0.407815
H -4.938027 -0.568740 1.150607
H -0.691923 -1.946644 -1.728029
H -0.600543 0.104235 2.095232
H 1.737612 -1.382280 -2.073226
H 1.818382 0.662019 1.743151
H -7.560799 1.044265 -0.557993
H 6.918524 0.657684 -1.149862
H 5.338165 0.786372 -2.021345
H 5.763681 -0.734497 -1.206426
H 6.882177 1.093130 1.448676
H 5.336848 1.885963 1.913476
H 6.361588 2.600107 0.621136


