%chk=000081404.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081404

0 1
 O   -2.843000      -1.390000      0.1720000    
 N    3.607900     -0.2365000      1.8999999E-02
 N   -1.898900      0.7486000     -8.5900001E-02
 N   -4.194800      0.4724000     -4.7699999E-02
 C    2.220100      1.1700000E-02 -7.4999998E-03
 C  -0.5257000      0.5028000     -5.9599999E-02
 C    1.747500       1.315100     -0.1612000    
 C    1.319800      -1.046000      0.1201000    
 C   0.3747000       1.560600     -0.1870000    
 C  -5.3100001E-02 -0.8006000      9.3999997E-02
 C    4.523500      0.7655000      0.5276000    
 C    4.136300      -1.502600     -0.4490000    
 C   -2.957400     -0.1753000      2.6799999E-02
 C   -5.456700     -0.2259000      3.8400002E-02
 H    2.421300       2.159500     -0.2752000    
 H    1.655500      -2.070600      0.2535000    
 H   2.0000000E-02   2.580800     -0.3099000    
 H  -0.6864000      -1.669800      0.2014000    
 H    4.711500       1.537500     -0.2259000    
 H    5.489700      0.3210000      0.7913000    
 H    4.136000       1.238100       1.437300    
 H    5.204700      -1.423600     -0.6794000    
 H    3.639900      -1.829300      -1.369800    
 H    4.021100      -2.277900      0.3158000    
 H   -2.169000       1.722300     -0.2019000    
 H   -4.211600       1.484600     -0.1237000    
 H   -5.365200      -1.234500     -0.3722000    
 H   -6.205300      0.3403000     -0.5205000    
 H   -5.746700     -0.2829000       1.090500    


%chk=000081404-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081404

0 1
O -2.923576 -1.362673 -0.109456
N 3.673212 -0.244837 -0.010084
N -1.944162 0.783021 0.047380
N -4.274280 0.544039 0.017701
C 2.288991 -0.009047 0.003815
C -0.551819 0.465896 0.029460
C 1.760054 1.315186 0.107128
C 1.346529 -1.080418 -0.084729
C 0.371361 1.539341 0.118863
C -0.042604 -0.854525 -0.072721
C 4.606334 0.878263 0.104869
C 4.179505 -1.615256 -0.125358
C -3.029625 -0.099961 -0.021084
C -5.521351 -0.221205 -0.040140
H 2.428912 2.177376 0.177992
H 1.695672 -2.114006 -0.163315
H 0.003369 2.571744 0.199147
H -0.742760 -1.689434 -0.140204
H 4.496696 1.598855 -0.733197
H 5.641017 0.499947 0.089260
H 4.465153 1.440046 1.052434
H 5.281242 -1.600404 -0.132100
H 3.841141 -2.103531 -1.062958
H 3.853375 -2.252882 0.723143
H -2.152642 1.780639 0.122405
H -4.329442 1.560616 0.081957
H -5.245454 -1.285716 -0.112291
H -6.125969 0.048779 -0.926927
H -6.133182 -0.074556 0.870311


