%chk=000005259.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005259

0 1
 O   -3.479900       1.999400       1.377000    
 O   -4.530800       2.951800     -0.7663000    
 N   -2.441300      0.3553000     -8.9500003E-02
 N    3.809700      0.3138000      0.2397000    
 N   -3.507900       1.319800      8.9000002E-02
 N   -5.286700      -3.660600     -0.4420000    
 N    8.711600     -0.1760000      0.1606000    
 N   -3.617500       2.134400     -0.9315000    
 C  -8.6000003E-03  8.1299998E-02 -0.2280000    
 C    1.340900      0.5674000      0.3107000    
 C   -1.165300      0.8356000      0.4275000    
 C    2.540000     -0.1704000     -0.2886000    
 C   -2.839000     -0.8963000      0.5598000    
 C   -3.871900      -1.666600     -0.2656000    
 C    4.926900     -0.4156000     -0.3436000    
 C    6.272900      6.7599997E-02  0.2009000    
 C   -4.317400      -2.969300      0.4011000    
 C    7.464300     -0.6715000     -0.4111000    
 H  -3.8199998E-02  0.2281000      -1.315200    
 H  -8.0300003E-02 -0.9970000     -5.0700001E-02
 H    1.355900      0.4477000       1.401800    
 H    1.440300       1.641900      0.1096000    
 H   -1.028000       1.899400      0.1897000    
 H   -1.111900      0.7509000       1.521300    
 H    2.518400     -5.0799999E-02  -1.379000    
 H    2.433700      -1.240600     -7.2200000E-02
 H   -1.979800      -1.565400      0.6828000    
 H   -3.221600     -0.7190000       1.574500    
 H   -4.756600      -1.039300     -0.4361000    
 H   -3.448000      -1.889600      -1.254000    
 H    3.907000       1.309900      4.5800000E-02
 H    4.923300     -0.2977000      -1.434300    
 H    4.826400      -1.486100     -0.1264000    
 H    6.286200     -5.9200000E-02   1.291700    
 H    6.375200       1.143700      6.6000000E-03
 H   -3.453700      -3.622700      0.5634000    
 H   -4.767100      -2.759300       1.377600    
 H    7.381300      -1.745500     -0.2138000    
 H    7.479000     -0.5305000      -1.497300    
 H   -5.611900      -4.499800      3.6100000E-02
 H   -6.107800      -3.071600     -0.5751000    
 H    8.811500      0.8178000     -4.2300001E-02
 H    9.498100     -0.6402000     -0.2917000    
 H   -4.296200       1.640900       1.764900    


%chk=000005259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005259

0 1
O -3.901774 1.782662 1.345039
O -4.876292 2.562972 -0.879739
N -2.399341 0.276995 0.099132
N 3.939665 0.233714 0.170429
N -3.345424 1.256594 0.044309
N -5.719723 -3.434130 -0.361436
N 8.906752 0.003905 0.164844
N -3.931586 1.691876 -1.117793
C 0.089784 0.028407 -0.151250
C 1.471331 0.487430 0.366733
C -1.060598 0.733406 0.593631
C 2.635498 -0.208848 -0.365182
C -2.893908 -1.030809 0.636720
C -4.102243 -1.573038 -0.143401
C 5.116416 -0.418180 -0.445994
C 6.426887 0.109013 0.168673
C -4.556193 -2.944545 0.400699
C 7.680423 -0.536526 -0.456421
H -0.007481 0.238334 -1.233439
H 0.004800 -1.070178 -0.030489
H 1.567505 0.281763 1.450587
H 1.564844 1.587384 0.242026
H -1.006955 1.822606 0.423344
H -0.978569 0.563580 1.689075
H 2.533924 -0.035889 -1.468449
H 2.560515 -1.304674 -0.211855
H -2.045378 -1.732704 0.546094
H -3.138393 -0.927065 1.716610
H -4.946985 -0.859135 -0.068789
H -3.853870 -1.672619 -1.214523
H 4.027034 1.260510 0.140213
H 5.147234 -0.286359 -1.559371
H 5.036667 -1.508724 -0.261224
H 6.428891 -0.075967 1.257423
H 6.479222 1.211381 0.028093
H -3.734581 -3.676762 0.274707
H -4.737991 -2.851420 1.501303
H 7.654912 -1.627304 -0.266494
H 7.637907 -0.403012 -1.567001
H -5.972586 -4.409302 -0.178802
H -6.533132 -2.811550 -0.327215
H 9.010115 1.018569 0.059450
H 9.765936 -0.494855 -0.085179
H -4.608054 2.408594 0.952712


