%chk=000097649.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097649

0 1
 O   -2.727800      -2.281100      7.3899999E-02
 N    3.587800     -0.3456000     -0.1759000    
 N    1.647100      0.2252000      0.6971000    
 N    2.278300      1.1700000E-02 -0.3608000    
 N   -4.291900     -0.6729000     -0.4013000    
 C   -1.971000     -5.2000001E-02  3.1999999E-03
 C   0.3267000      0.5798000      0.4018000    
 C  -0.6543000     -0.4064000      0.2973000    
 C   -2.306700       1.288600     -0.1864000    
 C  -9.2000002E-03   1.920400      0.2121000    
 C   -1.325800       2.274800     -8.1900001E-02
 C   -2.994100      -1.079800     -0.1060000    
 C    4.040900      -1.065700       1.001700    
 C    4.399900     -0.3969000      -1.374600    
 H  -0.3779000      -1.447500      0.4485000    
 H   -3.306600       1.636300     -0.4163000    
 H   0.7477000       2.696300      0.2923000    
 H   -1.586100       3.319000     -0.2290000    
 H    5.120300     -0.9281000       1.114000    
 H    3.818000      -2.128100      0.8710000    
 H    3.554800     -0.6903000       1.905500    
 H    4.022400      0.3180000      -2.111900    
 H    4.361300      -1.408700      -1.787200    
 H    5.431400     -0.1345000      -1.123800    
 H   -4.595700      0.2793000     -0.5579000    
 H   -5.025700      -1.370700     -0.4761000    


%chk=000097649-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097649

0 1
O -2.472822 -2.047873 -1.301699
N 3.528434 -0.664869 -0.238628
N 1.760368 0.524028 0.437733
N 2.180376 -0.513206 -0.263362
N -4.152657 -0.458843 -1.209296
C -1.963571 0.065419 -0.197112
C 0.336741 0.675193 0.418852
C -0.575472 -0.186315 -0.247890
C -2.457652 1.174391 0.543809
C -0.165433 1.787783 1.146072
C -1.552973 2.028697 1.211288
C -2.863518 -0.896816 -0.934686
C 4.408284 0.250932 0.506257
C 4.063801 -1.796142 -0.999963
H -0.216330 -1.057307 -0.803043
H -3.534384 1.355217 0.642966
H 0.550693 2.439890 1.656976
H -1.929917 2.878380 1.790954
H 5.449728 -0.086056 0.384698
H 4.133981 0.263141 1.576925
H 4.296573 1.285096 0.131765
H 3.214648 -2.323758 -1.459621
H 4.611304 -2.496420 -0.340821
H 4.751248 -1.451898 -1.796003
H -4.462618 0.492916 -1.028182
H -4.775029 -1.100479 -1.698689


