%chk=000096756.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096756

0 1
 O    1.861700      -1.006000      -2.394200    
 O   -1.862800      -1.007000       2.396500    
 N    4.759100     -4.8599999E-02  0.2530000    
 N   -4.758900     -4.8599999E-02 -0.2533000    
 N    4.167100       4.753500      0.5631000    
 N    9.252800      -1.685900     -0.5437000    
 N   -4.162500       4.753000     -0.5635000    
 N   -9.254700      -1.682000      0.5395000    
 C    3.964800      -1.005600     -0.5175000    
 C   -3.966200      -1.006200      0.5182000    
 C    2.527100      -1.005300     -0.1127000    
 C   -2.528100      -1.007100      0.1147000    
 C   0.1632000      -1.006500     -0.6873000    
 C  -0.1644000      -1.006300      0.6896000    
 C    1.514000      -1.006100      -1.071800    
 C   -1.515100      -1.006700       1.074000    
 C    4.248800       1.308400      6.3000001E-02
 C    6.167100     -0.1248000     -0.1345000    
 C   -4.247600       1.308000     -6.3000001E-02
 C   -6.167300     -0.1236000      0.1328000    
 C    2.204900      -1.005100       1.241200    
 C   -2.206000      -1.007400      -1.239200    
 C  -0.8693000      -1.007100      -1.639100    
 C   0.8684000      -1.005600       1.641100    
 C    5.078500       2.305600      0.8677000    
 C    6.713600      -1.526900      0.1224000    
 C   -5.075800       2.305700     -0.8687000    
 C   -6.714800      -1.525200     -0.1243000    
 C    4.568500       3.673000      0.6966000    
 C    8.132400      -1.614600     -0.2503000    
 C   -4.564700       3.672800     -0.6974000    
 C   -8.133900      -1.611700      0.2470000    
 H    4.089000     -0.8140000      -1.590400    
 H    4.278200      -2.038900     -0.3406000    
 H   -4.277200      -2.037300      0.3213000    
 H   -4.122200     -0.8392000       1.588400    
 H    4.263100       1.588300      -1.000100    
 H    3.209600       1.406800      0.3972000    
 H    6.313500      0.1590000      -1.185500    
 H    6.794000      0.5337000      0.4735000    
 H   -4.262500       1.587700       1.000100    
 H   -3.208000       1.405500     -0.3962000    
 H   -6.315100      0.1610000       1.183600    
 H   -6.793000      0.5351000     -0.4762000    
 H    2.975800      -1.019900       2.007300    
 H   -2.977200      -1.026700      -2.005000    
 H  -0.6767000      -1.027500      -2.708000    
 H   0.6520000      -1.008500       2.707100    
 H    5.073400       2.040300       1.931400    
 H    6.120400       2.350400      0.5387000    
 H    6.591600      -1.799600       1.177500    
 H    6.210600      -2.290400     -0.4772000    
 H   -5.070000       2.040200      -1.932400    
 H   -6.117900       2.351600     -0.5405000    
 H   -6.591900      -1.798500      -1.179100    
 H   -6.212400      -2.288700      0.4763000    
 H    1.197500     -0.5260000      -2.913300    
 H   -2.517900     -0.3038000       2.541100    


%chk=000096756-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096756

0 1
O 1.674095 -0.819307 -2.645333
O -1.479102 -0.739781 2.646481
N 4.930144 0.025871 -0.200628
N -4.924181 -0.026629 0.196702
N 4.836816 4.834745 0.903078
N 9.176762 -2.466536 0.103910
N -4.674261 4.775013 -0.905745
N -9.286050 -2.318159 -0.051472
C 3.956717 -0.757133 -1.010137
C -3.974356 -0.862547 0.970136
C 2.551682 -0.741486 -0.420679
C -2.554107 -0.816385 0.416168
C 0.084242 -0.803402 -0.732243
C -0.081605 -0.763550 0.702052
C 1.426109 -0.782518 -1.258585
C -1.417196 -0.772700 1.242640
C 4.715175 1.488956 -0.287774
C 6.332490 -0.395922 -0.406908
C -4.644943 1.426576 0.276435
C -6.340532 -0.392578 0.421781
C 2.346469 -0.719789 0.993112
C -2.355498 -0.872850 -1.000462
C -1.082543 -0.869046 -1.565822
C 1.067642 -0.724981 1.551286
C 5.116213 2.187481 1.043672
C 6.674758 -1.628570 0.481596
C -5.043148 2.139014 -1.047689
C -6.758380 -1.590300 -0.481717
C 4.966110 3.650666 0.976186
C 8.053971 -2.101985 0.279211
C -4.842672 3.596071 -0.978669
C -8.152794 -2.002398 -0.251032
H 3.915517 -0.410055 -2.066041
H 4.315731 -1.804920 -1.048714
H -4.345443 -1.905998 0.939231
H -3.995871 -0.573674 2.056919
H 5.270816 1.952727 -1.135131
H 3.641115 1.669175 -0.465312
H 6.550108 -0.638473 -1.472592
H 7.006082 0.433528 -0.128033
H -5.166334 1.912602 1.132734
H -3.560874 1.562521 0.431163
H -6.546208 -0.645452 1.487468
H -6.980945 0.472102 0.175268
H 3.237566 -0.682930 1.628297
H -3.248304 -0.911925 -1.633110
H -1.002301 -0.933139 -2.658768
H 0.922271 -0.702668 2.633602
H 4.484917 1.788655 1.858586
H 6.166693 1.953611 1.302099
H 6.528001 -1.358220 1.543313
H 5.977673 -2.459324 0.263212
H -4.438686 1.721389 -1.873331
H -6.105015 1.942379 -1.290000
H -6.627156 -1.305446 -1.541566
H -6.097187 -2.458219 -0.298991
H 0.842816 -0.700818 -3.166456
H -2.416413 -0.732568 2.965504


