%chk=000031270.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031270

0 1
 O   -6.726800       1.501500      -1.286600    
 O   -9.413000      -1.728400     -0.8186000    
 N   -9.158100      0.9047000      0.1618000    
 C    3.195400      0.4046000      0.2393000    
 C    4.484200     -0.4186000      0.2951000    
 C    1.963100     -0.4814000      0.4416000    
 C    5.746200      0.4065000      2.7300000E-02
 C   0.6761000      0.3458000      0.4182000    
 C    7.027800     -0.4295000      1.0100000E-02
 C  -0.5892000     -0.4887000      0.6388000    
 C    8.256400      0.4457000     -0.2485000    
 C   -1.912600      0.2825000      0.6035000    
 C    9.534800     -0.3923000     -0.3039000    
 C   -3.133400     -0.5928000      0.8923000    
 C    10.76570      0.4856000     -0.5287000    
 C   -4.398800      0.2141000      0.8511000    
 C   -6.715100      0.8519000     -8.9999996E-03
 C   -7.999900      6.9999998E-04  0.1340000    
 C   -5.448200      4.3600000E-02  3.1800002E-02
 C    12.04200     -0.3401000     -0.5509000    
 C   -8.196600      -1.015500     -0.9986000    
 H    3.125700      0.9131000     -0.7299000    
 H    3.226300       1.182300       1.011800    
 H    4.426000      -1.226500     -0.4451000    
 H    4.568800     -0.8967000       1.278800    
 H    1.922700      -1.245000     -0.3445000    
 H    2.041200      -1.007400       1.400600    
 H    5.640000      0.9194000     -0.9367000    
 H    5.830700       1.187400      0.7933000    
 H   0.7279000       1.121700       1.192000    
 H   0.5964000      0.8646000     -0.5451000    
 H    7.139800     -0.9490000      0.9693000    
 H    6.951300      -1.198500     -0.7680000    
 H  -0.6260000      -1.279600     -0.1212000    
 H  -0.5056000     -0.9965000       1.608200    
 H    8.132200      0.9857000      -1.195000    
 H    8.342600       1.198500      0.5445000    
 H   -1.865000       1.097800       1.337100    
 H   -2.021500      0.7539000     -0.3818000    
 H    9.648400     -0.9492000      0.6343000    
 H    9.456800      -1.131300      -1.110600    
 H   -3.178600      -1.413700      0.1668000    
 H   -3.039200      -1.046900       1.885600    
 H    10.66890       1.026400      -1.477300    
 H    10.83860       1.236300      0.2669000    
 H   -4.463400       1.011000       1.590400    
 H   -6.695400       1.631800      0.7625000    
 H   -7.981000     -0.5351000       1.091400    
 H   -5.363700     -0.7485000     -0.7102000    
 H    12.18520     -0.8670000      0.3979000    
 H    12.01530      -1.081800      -1.355500    
 H    12.90940      0.3073000     -0.7141000    
 H   -7.387000      -1.750900      -1.010000    
 H   -8.234200     -0.5255000      -1.977700    
 H   -10.00950      0.3625000      0.3036000    
 H   -9.081600       1.534000      0.9599000    
 H   -5.959700       2.098800      -1.321300    
 H   -9.487600      -2.357600      -1.556300    


%chk=000031270-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031270

0 1
O -6.909718 1.469436 -1.333820
O -9.759372 -1.481034 -0.612061
N -9.119303 0.886653 0.785444
C 3.222273 0.281683 0.033921
C 4.554804 -0.481314 0.206778
C 1.977485 -0.568642 0.373916
C 5.796987 0.371864 -0.135436
C 0.649452 0.207064 0.223798
C 7.132012 -0.384307 0.048417
C -0.599196 -0.640093 0.556916
C 8.372631 0.470683 -0.295622
C -1.918082 0.157379 0.449640
C 9.709202 -0.281721 -0.107112
C -3.174223 -0.699512 0.765001
C 10.948784 0.575193 -0.451920
C -4.448660 0.115141 0.770414
C -6.760943 0.788322 -0.021572
C -8.071522 0.000131 0.242956
C -5.522995 -0.083712 -0.038266
C 12.280013 -0.183460 -0.260977
C -8.611167 -0.647747 -1.038516
H 3.141986 0.646722 -1.011526
H 3.233544 1.186380 0.677723
H 4.544856 -1.387633 -0.434623
H 4.636213 -0.843233 1.253268
H 1.956033 -1.465236 -0.280640
H 2.065040 -0.946252 1.414300
H 5.719156 0.727745 -1.184277
H 5.801898 1.282016 0.500699
H 0.672213 1.099442 0.884281
H 0.564973 0.592149 -0.813937
H 7.210891 -0.738303 1.097812
H 7.127807 -1.295379 -0.586279
H -0.641310 -1.516326 -0.123368
H -0.501991 -1.049217 1.584557
H 8.295354 0.821823 -1.346149
H 8.374497 1.383568 0.336638
H -1.880861 1.020936 1.146093
H -2.016425 0.582503 -0.569469
H 9.788653 -0.632398 0.943404
H 9.709540 -1.194718 -0.739144
H -3.256597 -1.526293 0.032722
H -3.032153 -1.169313 1.761744
H 10.868372 0.925411 -1.501443
H 10.947675 1.487054 0.180006
H -4.482785 0.946721 1.495411
H -6.653640 1.550252 0.782850
H -7.803287 -0.832464 0.940259
H -5.510954 -0.898474 -0.777766
H 12.396966 -0.520403 0.786501
H 12.321029 -1.080845 -0.907109
H 13.149528 0.452396 -0.510434
H -7.832466 -1.276155 -1.515382
H -8.928268 0.147469 -1.736701
H -10.034987 0.422384 0.787421
H -8.888903 1.290222 1.699597
H -6.063201 1.949163 -1.521221
H -10.251657 -1.788021 -1.413013


