%chk=000015795.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015795

0 1
 O   0.8330000       2.089900     -0.1615000    
 O  -0.5022000       1.706800       1.684400    
 N   -3.290200     -0.6767000     -0.1680000    
 C  -0.1443000     -3.6699999E-02  4.6000000E-02
 C   -1.087800     -0.7954000       1.001900    
 C    1.186600     -0.8039000     -0.1085000    
 C  -0.6678000      0.3147000      -1.344900    
 C   -2.393800      -1.064800      0.8114000    
 C   2.2500001E-02   1.342600      0.6406000    
 C   -3.133900      0.5786000     -0.8936000    
 C   -1.920600      0.5560000      -1.754400    
 C  -0.4632000      -1.310500       2.288300    
 C    1.212700      -2.005300     -0.8091000    
 C    2.349200     -0.2880000      0.4543000    
 C   -4.615400      -1.288800     -0.2468000    
 C    2.415100      -2.698500     -0.9485000    
 C    3.551600     -0.9813000      0.3148000    
 C    3.584600      -2.186500     -0.3866000    
 C    1.076800       3.427300      0.2857000    
 C    1.987100       4.120500     -0.7054000    
 H   8.9500003E-02  0.3977000      -2.128100    
 H   -2.901700      -1.689000       1.543400    
 H   -3.092600       1.424400     -0.1959000    
 H   -4.003300      0.7636000      -1.536900    
 H   -2.070300      0.8044000      -2.803200    
 H   0.1832000      -2.170900       2.088600    
 H   -1.218200      -1.635400       3.013300    
 H   0.1309000     -0.5369000       2.783900    
 H   0.3102000      -2.421400      -1.248400    
 H    2.373300      0.6211000       1.044700    
 H   -4.585100      -2.341900      5.5000000E-02
 H   -4.999800      -1.260200      -1.272100    
 H   -5.316900     -0.7590000      0.4059000    
 H    2.440400      -3.637900      -1.493000    
 H    4.460700     -0.5881000      0.7606000    
 H    4.520300      -2.727500     -0.4929000    
 H   0.1260000       3.967400      0.3559000    
 H    1.554100       3.401100       1.271600    
 H    2.194900       5.147900     -0.3938000    
 H    2.935000       3.580500     -0.7999000    
 H    1.530700       4.137700      -1.700600    


%chk=000015795-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015795

0 1
O 1.104243 2.251147 -0.054096
O -0.536747 2.186347 1.586533
N -3.210892 -1.128012 -0.297037
C -0.236627 0.206732 0.070363
C -1.124396 -0.581803 1.052328
C 1.052185 -0.641973 -0.154164
C -0.795430 0.573005 -1.313769
C -2.336031 -1.178349 0.804907
C 0.079151 1.619992 0.657022
C -3.327251 0.112762 -1.086692
C -2.063314 0.557505 -1.788526
C -0.518467 -0.806362 2.433882
C 0.986089 -1.723391 -1.069157
C 2.250838 -0.445266 0.574436
C -4.474483 -1.877035 -0.164006
C 2.093019 -2.576739 -1.265443
C 3.360725 -1.299056 0.381935
C 3.289336 -2.367372 -0.540005
C 1.410351 3.658448 0.348066
C 2.507106 4.153462 -0.589179
H -0.010740 0.954699 -1.980331
H -2.716376 -1.825995 1.607619
H -3.693254 0.946311 -0.437120
H -4.107859 -0.054975 -1.850917
H -2.208588 0.930680 -2.812301
H 0.491063 -1.256428 2.379715
H -1.153745 -1.479960 3.035773
H -0.431237 0.147446 2.987946
H 0.055601 -1.896264 -1.622330
H 2.331967 0.383671 1.285665
H -4.288407 -2.833236 0.352621
H -4.878684 -2.111715 -1.165246
H -5.255084 -1.319449 0.403797
H 2.021369 -3.404972 -1.979808
H 4.280648 -1.128646 0.953170
H 4.151371 -3.027228 -0.690010
H 0.481228 4.251948 0.270053
H 1.725809 3.656426 1.407600
H 2.780820 5.192663 -0.329936
H 3.409389 3.523798 -0.506596
H 2.166604 4.134785 -1.638563


