%chk=000065908.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065908

0 1
 O   -5.830000       1.134200     -0.6204000    
 O   -7.941800     -0.2768000     -6.0500000E-02
 O    5.286000      -2.526700     -0.1631000    
 O    6.529600     -4.4000000E-02 -0.2691000    
 N   -3.902100      0.4145000      0.4542000    
 N   -1.089200      0.6263000      0.3800000    
 N    1.031900     -0.4175000      0.1987000    
 N   0.8428000       1.984700      0.2150000    
 N    2.758600       3.341100      5.1800001E-02
 C   -3.284300       1.737900      0.4646000    
 C   -3.088800     -0.6246000       1.088500    
 C   -1.911800       1.698300     -0.2037000    
 C   -1.709600     -0.7047000      0.4344000    
 C   -5.162900      0.2317000     -0.1081000    
 C   0.3011000      0.7363000      0.2614000    
 C   -5.718400      -1.169500     -7.5300001E-02
 C   -7.083100      -1.187300     -0.7453000    
 C    2.368100     -0.3194000      8.5199997E-02
 C    3.009500      0.9290000      3.0700000E-02
 C    2.183000       2.046900      0.1010000    
 C   -7.696400      -2.579100     -0.6783000    
 C    3.162200      -1.461600      1.7500000E-02
 C    4.407400       1.019300     -8.8200003E-02
 C    4.552900      -1.380000     -0.1008000    
 C    5.176400     -0.1384000     -0.1537000    
 C    5.742200      -3.072100       1.073200    
 C    7.066800      1.2000001E-03  -1.589900    
 H   -3.190300       2.043400       1.513800    
 H   -3.921400       2.473200     -3.6800001E-02
 H   -3.566400      -1.605200       1.054300    
 H   -2.990300     -0.3498000       2.145900    
 H   -2.020900       1.517500      -1.280400    
 H   -1.455000       2.686400     -7.7000000E-02
 H   -1.103700      -1.404300       1.022400    
 H   -1.796400      -1.104300     -0.5835000    
 H   -5.812300      -1.470500      0.9747000    
 H   -5.035300      -1.848100     -0.5966000    
 H   -7.018900     -0.8736000      -1.794100    
 H   -7.832400      -2.900400      0.3603000    
 H   -7.073500      -3.314600      -1.196300    
 H   -8.690700      -2.578100      -1.137900    
 H    2.691000      -2.442500      5.6600001E-02
 H    4.920400       1.975700     -0.1395000    
 H   -7.696800      0.6256000     -0.3246000    
 H    2.103500       4.114000      7.9300001E-02
 H    3.649500       3.490600      0.5083000    
 H    4.893500      -3.338000       1.711300    
 H    6.393900      -2.361200       1.590900    
 H    6.314800      -3.978100      0.8573000    
 H    6.810600     -0.9089000      -2.141400    
 H    8.155500      6.9799997E-02  -1.514600    
 H    6.696400      0.8818000      -2.124300    


%chk=000065908-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065908

0 1
O -5.893315 1.265519 0.260346
O -8.040597 -0.314985 0.812193
O 5.312556 -2.539718 0.016932
O 6.578671 0.075333 0.286562
N -3.804974 0.260970 0.303998
N -1.122454 0.611712 -0.577551
N 0.980467 -0.425636 -0.379107
N 0.738201 2.006621 -0.210294
N 2.530994 3.435724 0.141963
C -3.136544 1.571577 0.492980
C -2.879457 -0.893465 0.296667
C -2.031850 1.769998 -0.568439
C -1.772755 -0.692946 -0.767086
C -5.184255 0.197649 0.203714
C 0.248755 0.719597 -0.384122
C -5.842611 -1.179884 0.032869
C -7.364627 -1.065158 -0.250220
C 2.346073 -0.280790 -0.201923
C 2.974029 1.009860 -0.027956
C 2.069513 2.149810 -0.033811
C -8.033076 -2.442296 -0.312155
C 3.168854 -1.449036 -0.167192
C 4.387778 1.093631 0.118666
C 4.550158 -1.351850 0.013004
C 5.178223 -0.058584 0.124791
C 6.056733 -2.802415 1.273078
C 7.372911 -0.363469 -0.887353
H -2.687154 1.606552 1.505684
H -3.909431 2.352937 0.416460
H -3.429494 -1.824608 0.094809
H -2.405290 -0.982831 1.295185
H -2.501743 1.881264 -1.567548
H -1.438862 2.670755 -0.351254
H -1.000420 -1.473250 -0.682344
H -2.225831 -0.738713 -1.779533
H -5.695835 -1.770284 0.959967
H -5.362677 -1.739913 -0.793716
H -7.494395 -0.540729 -1.223362
H -7.931929 -2.959043 0.659257
H -7.585846 -3.073012 -1.102838
H -9.109402 -2.322841 -0.522188
H 2.701968 -2.431773 -0.269820
H 4.912469 2.051220 0.213870
H -7.599633 0.584436 0.812704
H 1.849792 4.191908 0.123045
H 3.509885 3.642758 0.311700
H 5.344046 -2.976643 2.101044
H 6.725700 -1.959330 1.521061
H 6.638017 -3.716740 1.080514
H 7.162214 -1.420001 -1.132222
H 8.425827 -0.237078 -0.592649
H 7.145522 0.277285 -1.760479


