%chk=000068867.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068867

0 1
 O    1.863600      -1.653600       2.104000    
 O    1.278600       1.617800      0.3763000    
 O    6.481100      -1.160200      -1.772800    
 O    7.146700     -0.6067000      0.2445000    
 N   -3.072900     -0.9243000     -0.4250000    
 N   0.5268000      -1.280000      0.2464000    
 N    6.274000     -0.6337000     -0.6545000    
 N    5.765600       2.119100      -1.242200    
 C   -5.154200      0.3988000     -0.4859000    
 C   -3.864100      2.2000000E-02  -1.211100    
 C  -0.6041000      -2.062200      0.6930000    
 C   -2.361500     -0.2274000      0.6549000    
 C   -2.139600      -1.657700      -1.290500    
 C   -1.570500      -1.212500       1.521500    
 C   -1.341400      -2.692400     -0.4909000    
 C   -5.957200       1.432100      -1.286600    
 C   -6.009000     -0.8510000     -0.2096000    
 C   -7.229500       1.847200     -0.5414000    
 C   -7.407700     -0.5243000      0.2230000    
 C   -7.951200      0.6930000      8.6499996E-02
 C    1.680300      -1.141700       1.002700    
 C    2.741300     -0.2832000      0.4158000    
 C    2.496800       1.059700      0.1280000    
 C    3.994800     -0.8360000      0.1532000    
 C    5.004000     -4.5400001E-02 -0.3969000    
 C    3.505900       1.849900     -0.4226000    
 C    4.759600       1.297400     -0.6850000    
 C    1.242900       2.718200       1.282500    
 C  -9.9100001E-02   2.736900       1.982800    
 H   -4.914800      0.8708000      0.4759000    
 H   -3.279800      0.9182000      -1.459100    
 H   -4.144200     -0.4312000      -2.172200    
 H  -0.2164000      -2.867400       1.329000    
 H   -1.682400      0.5326000      0.2477000    
 H   -3.060900      0.2902000       1.319100    
 H   -2.699100      -2.197500      -2.064600    
 H   -1.459900     -0.9685000      -1.807500    
 H   -2.276900      -1.876200       2.037500    
 H   -1.029600     -0.6612000       2.299700    
 H   -2.030800      -3.460100     -0.1155000    
 H  -0.6325000      -3.199700      -1.156500    
 H   -5.348900       2.322500      -1.485600    
 H   -6.230300       1.011200      -2.263400    
 H   -6.069400      -1.485900      -1.102200    
 H   -5.538900      -1.449400      0.5801000    
 H   -6.977700       2.566900      0.2467000    
 H   -7.900400       2.359100      -1.240700    
 H   0.4535000     -0.7781000     -0.6339000    
 H   -7.996300      -1.321300      0.6680000    
 H   -8.963600      0.8648000      0.4400000    
 H    4.182300      -1.884400      0.3771000    
 H    3.314200       2.894600     -0.6561000    
 H    1.381300       3.647700      0.7198000    
 H    2.039500       2.636100       2.032600    
 H    6.683600       1.747900      -1.444700    
 H    5.565800       3.090100      -1.443600    
 H  -0.1646000       3.577100       2.679700    
 H  -0.2575000       1.806000       2.536600    
 H  -0.9132000       2.818300       1.255200    


%chk=000068867-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068867

0 1
O 2.008101 -2.731181 0.780187
O 1.415740 1.285522 -0.552086
O 6.502648 -1.796510 1.700208
O 7.478715 0.243107 1.433483
N -3.150891 -0.757669 -0.559850
N 0.514278 -1.257617 -0.223554
N 6.435953 -0.557105 1.351349
N 6.081162 2.253943 0.499151
C -5.255870 0.438310 0.230275
C -4.054157 0.405974 -0.739461
C -0.590076 -2.240028 -0.242575
C -2.414049 -0.725496 0.729491
C -2.221094 -0.906947 -1.705650
C -1.579987 -2.006370 0.929503
C -1.365799 -2.184402 -1.579690
C -6.163275 1.660386 -0.065472
C -6.089060 -0.865301 0.164335
C -7.288254 1.790581 0.988364
C -7.417326 -0.736512 0.888387
C -7.949821 0.453208 1.275625
C 1.747044 -1.574513 0.309563
C 2.814260 -0.498778 0.311018
C 2.676503 0.877459 -0.094092
C 4.074845 -0.898726 0.776537
C 5.178059 -0.020554 0.852367
C 3.760351 1.768743 -0.024309
C 5.043567 1.357091 0.446152
C 1.207980 2.704621 -0.930209
C -0.255029 2.858478 -1.332434
H -4.885745 0.555416 1.270570
H -3.489057 1.374988 -0.647244
H -4.446183 0.363433 -1.776188
H -0.112469 -3.227226 -0.118330
H -1.742541 0.175564 0.782367
H -3.140611 -0.631799 1.555151
H -2.817759 -0.952030 -2.635740
H -1.549747 -0.008098 -1.800961
H -2.266535 -2.872528 0.986423
H -1.021026 -1.951948 1.881168
H -2.040421 -3.059899 -1.621603
H -0.663176 -2.254325 -2.430870
H -5.561504 2.591062 -0.094999
H -6.616714 1.534652 -1.070256
H -6.263524 -1.137754 -0.899670
H -5.503153 -1.706270 0.581790
H -6.879088 2.212509 1.931520
H -8.050404 2.517038 0.641193
H 0.366336 -0.299074 -0.554683
H -7.959940 -1.667232 1.107530
H -8.904682 0.470418 1.819822
H 4.187953 -1.939571 1.095652
H 3.646774 2.810945 -0.334551
H 1.886893 2.952707 -1.769940
H 1.456902 3.343065 -0.059682
H 6.982494 1.902755 0.848846
H 5.950211 3.218426 0.203860
H -0.451724 3.909175 -1.612130
H -0.925592 2.589605 -0.498164
H -0.498389 2.219279 -2.198293


