%chk=000089126.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089126

0 1
 O   -1.983100      -1.672000      0.6381000    
 O    1.982400       1.671100     -0.6467000    
 O   -6.950600      -2.444700      -1.103400    
 O    6.948300       2.443900       1.111200    
 O   -4.802100      -2.002400      -1.190300    
 O    4.799100       2.003500       1.189100    
 N   -3.801200      2.4900001E-02 -0.1515000    
 N    3.801100     -2.4200000E-02  0.1485000    
 N   -5.968100      -1.715800     -0.8313000    
 N    5.966400       1.715700      0.8352000    
 C   -1.363500      0.4399000     -0.2412000    
 C    1.362700     -0.4397000      0.2350000    
 C  -0.3133000       1.299500     -0.5702000    
 C   0.3126000      -1.299600      0.5635000    
 C   -1.088900     -0.8913000      0.3374000    
 C    1.088100      0.8910000     -0.3444000    
 C   -2.687500      0.8394000     -0.4594000    
 C    2.686600     -0.8384000      0.4552000    
 C  -0.5873000       2.558800      -1.117500    
 C   0.5864000      -2.558400       1.111900    
 C   -2.955900       2.095300      -1.004700    
 C    2.955000      -2.093600       1.002100    
 C   -1.908000       2.953000      -1.333100    
 C    1.907100      -2.951700       1.329600    
 C   -5.118600      0.3239000      0.2385000    
 C    5.119600     -0.3238000     -0.2370000    
 C   -6.184300     -0.5207000     -8.9299999E-02
 C    6.184400      0.5206000      9.3800001E-02
 C   -5.364600       1.490600      0.9690000    
 C    5.367600      -1.491000     -0.9661000    
 C   -7.482200     -0.2015000      0.3098000    
 C    7.483700      0.2005000     -0.3003000    
 C   -6.662500       1.809700       1.368000    
 C    6.666900      -1.810900      -1.360300    
 C   -7.721300      0.9638000       1.038300    
 C    7.724900     -0.9651000      -1.027500    
 H   0.2102000       3.247100      -1.384300    
 H  -0.2111000      -3.246800       1.378400    
 H   -3.968100       2.427200      -1.218900    
 H    3.966900      -2.424900       1.218200    
 H   -3.595000     -0.9676000     -0.1796000    
 H    3.594700      0.9683000      0.1743000    
 H   -2.119000       3.927300      -1.764600    
 H    2.118000      -3.925500       1.762300    
 H   -4.559700       2.156700       1.268000    
 H    4.563500      -2.157000      -1.267500    
 H   -8.334300     -0.8339000      7.3700003E-02
 H    8.335200      0.8326000     -6.1500002E-02
 H   -6.848200       2.713300       1.941100    
 H    6.854100      -2.714900      -1.932300    
 H   -8.731500       1.211900       1.350500    
 H    8.736000      -1.213900      -1.336100    


%chk=000089126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089126

0 1
O -2.009556 -1.824066 0.464197
O 2.009668 1.825038 -0.463651
O -7.064471 -2.451174 -1.178256
O 7.064440 2.453506 1.174984
O -4.868222 -2.400265 -0.565348
O 4.868575 2.401639 0.560801
N -3.830191 0.003317 -0.016175
N 3.830630 -0.003052 0.015660
N -6.053464 -1.867512 -0.621612
N 6.053700 1.868823 0.618925
C -1.409506 0.425985 -0.166434
C 1.409783 -0.425487 0.165512
C -0.341742 1.333652 -0.459121
C 0.341992 -1.333100 0.458302
C -1.091012 -0.945487 0.270530
C 1.091311 0.945781 -0.272193
C -2.775254 0.877251 -0.307433
C 2.775509 -0.876610 0.307319
C -0.605956 2.640398 -0.916569
C 0.606123 -2.639540 0.916680
C -3.010331 2.190112 -0.819075
C 3.010487 -2.189135 0.819846
C -1.942548 3.051409 -1.116148
C 1.942663 -3.050333 1.117040
C -5.161310 0.345503 0.261418
C 5.161895 -0.345799 -0.260438
C -6.255949 -0.546287 -0.011888
C 6.256443 0.546410 0.011865
C -5.496485 1.589600 0.881463
C 5.497325 -1.591186 -0.877729
C -7.595925 -0.189457 0.280467
C 7.596565 0.188874 -0.278960
C -6.823380 1.931989 1.181693
C 6.824376 -1.934304 -1.176434
C -7.889020 1.047065 0.871970
C 7.889902 -1.048844 -0.867842
H 0.240252 3.301759 -1.120349
H -0.240114 -3.300854 1.120491
H -4.034814 2.513128 -1.020386
H 4.034948 -2.511997 1.021553
H -3.565090 -1.005553 0.045954
H 3.565599 1.005704 -0.048443
H -2.154021 4.047570 -1.518503
H 2.154056 -4.046253 1.520032
H -4.687601 2.265526 1.170903
H 4.688542 -2.267663 -1.166184
H -8.380831 -0.907923 0.029797
H 8.381389 0.907745 -0.029197
H -7.029583 2.886082 1.678362
H 7.030803 -2.889433 -1.671016
H -8.923052 1.315282 1.106663
H 8.924055 -1.317632 -1.101343


