%chk=000050805.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050805

0 1
 O  -0.2767000     -0.3522000      3.1099999E-02
 O   -1.280000      -2.402900      0.3271000    
 N    3.402100     -0.4413000      1.7600000E-02
 N   -6.211900       1.654100     -0.1774000    
 C    5.815400     -1.4700000E-02 -2.0700000E-02
 C    4.418100      0.5984000     -9.5899999E-02
 C    6.897200       1.057100     -0.1593000    
 C    2.064500      0.1283000     -6.3199997E-02
 C    1.009400     -0.9541000      9.9299997E-02
 C    8.291000      0.4596000     -4.9899999E-02
 C   -2.618000     -0.4462000      7.0400000E-02
 C   -1.338900      -1.194500      0.1604000    
 C   -3.730200      -1.085000     -0.4391000    
 C   -2.655800      0.8646000      0.5001000    
 C   -4.996100      0.9439000     -9.4599999E-02
 C   -4.932200     -0.3822000     -0.5225000    
 C   -3.858000       1.567200      0.4167000    
 H    5.938100     -0.7616000     -0.8153000    
 H    5.940100     -0.5380000      0.9358000    
 H    4.308300       1.125000      -1.051700    
 H    4.300300       1.334000      0.7092000    
 H    6.771300       1.816900      0.6209000    
 H    6.797300       1.564600      -1.125800    
 H    3.514400     -0.9363000      0.9020000    
 H    1.915200      0.6301000      -1.027400    
 H    1.915600      0.8903000      0.7126000    
 H    1.123300      -1.453300       1.069400    
 H    1.105300      -1.699700     -0.6997000    
 H    9.048400       1.243000     -0.1530000    
 H    8.434700     -2.6200000E-02  0.9204000    
 H    8.461800     -0.2837000     -0.8352000    
 H   -3.692100      -2.115900     -0.7782000    
 H   -1.787700       1.368300      0.9147000    
 H   -5.812200     -0.8789000     -0.9233000    
 H   -3.896000       2.599200      0.7565000    
 H   -6.258100       2.616300      0.1307000    
 H   -7.037000       1.203500     -0.5501000    


%chk=000050805-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050805

0 1
O -0.281377 -0.205851 -0.116761
O -1.217026 -2.342264 -0.200437
N 3.441904 -0.293556 0.037161
N -6.472982 1.495327 0.044602
C 5.915004 -0.007850 0.019817
C 4.543362 0.694136 0.026545
C 7.100347 0.983548 0.015032
C 2.081764 0.283036 0.037541
C 1.061167 -0.838565 -0.176336
C 8.471723 0.274265 0.008681
C -2.671058 -0.387187 -0.094024
C -1.372821 -1.093528 -0.143290
C -3.864415 -1.160145 -0.109934
C -2.774483 1.029431 -0.031321
C -5.227510 0.878230 -0.000894
C -5.122975 -0.545286 -0.064562
C -4.028982 1.655608 0.014718
H 5.969429 -0.670207 -0.865944
H 5.996046 -0.665772 0.912020
H 4.440561 1.308896 -0.890260
H 4.497831 1.403430 0.893201
H 7.030302 1.646218 0.901903
H 7.021141 1.642888 -0.873407
H 3.564274 -0.977134 0.798340
H 2.009871 1.004250 -0.798151
H 1.824947 0.840502 0.971308
H 1.126567 -1.617728 0.607216
H 1.198622 -1.325028 -1.157487
H 9.303632 1.002313 0.001168
H 8.591177 -0.366364 0.902877
H 8.579208 -0.371970 -0.882688
H -3.775624 -2.250703 -0.158760
H -1.858804 1.627398 -0.020119
H -6.034199 -1.155471 -0.078019
H -4.094960 2.749441 0.062516
H -6.553009 2.507296 0.087799
H -7.327753 0.946094 0.032548


