%chk=000052595.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052595

0 1
 O   -1.532300       3.441000     -8.2999999E-03
 N   -3.837300      -1.519600      0.5170000    
 N    4.934000     -0.7817000     -0.6415000    
 N   -4.775000      -3.334000     -0.7668000    
 N    6.590900      -2.165400      0.2506000    
 N    4.741900      -1.797100       1.536500    
 N   -5.182700      -4.038900      0.3452000    
 C   -1.363900       1.189700      7.5499997E-02
 C  -6.7500003E-02   1.736400     -0.1149000    
 C   -2.228300       2.278100      0.1346000    
 C    1.206500       1.094400     -0.2479000    
 C   -1.901900     -0.1028000      0.2043000    
 C  -0.2252000       3.102200     -0.1588000    
 C   -3.606300       2.173000      0.3150000    
 C   -3.284800     -0.2405000      0.3867000    
 C    2.366000       1.742500      0.1828000    
 C    1.293100     -0.1811000     -0.8099000    
 C   -4.119600      0.8786000      0.4407000    
 C    3.606400       1.118100      5.2099999E-02
 C    2.533500     -0.8057000     -0.9405000    
 C    3.690200     -0.1561000     -0.5095000    
 C   -4.210900      -2.098400     -0.5834000    
 C    5.373400      -1.532600      0.3404000    
 H   -1.273200     -0.9873000      0.1885000    
 H   0.4465000       3.939100     -0.2911000    
 H   -4.247100       3.045600      0.3560000    
 H    2.338400       2.729300      0.6383000    
 H   0.4243000     -0.7030000      -1.197800    
 H   -5.190800      0.7522000      0.5838000    
 H    4.502000       1.631000      0.3931000    
 H    2.590100      -1.794300      -1.388500    
 H   -4.077100      -1.593100      -1.558000    
 H   -5.078800      -3.652600      -1.681300    
 H    7.173300      -2.065900     -0.5737000    
 H    6.941600      -2.749400       1.001800    
 H    5.171200      -2.396600       2.233000    
 H    3.833400      -1.408700       1.764300    
 H   -6.162500      -3.822700      0.5247000    
 H   -5.149900      -5.033900      0.1276000    


%chk=000052595-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052595

0 1
O -1.603823 3.578622 0.249119
N -4.279245 -1.350121 0.027117
N 4.692421 -1.274528 -0.651879
N -4.475807 -3.578514 -0.690235
N 6.741270 -2.212229 -0.077997
N 5.347708 -1.458278 1.670816
N -5.551913 -3.888385 0.183931
C -1.560832 1.265060 0.015754
C -0.176498 1.755735 -0.005770
C -2.393434 2.409764 0.172024
C 1.068840 0.976046 -0.141468
C -2.167310 -0.014868 -0.032827
C -0.266244 3.132951 0.135661
C -3.790807 2.351372 0.279466
C -3.584204 -0.110228 0.049847
C 2.266795 1.386894 0.505763
C 1.129409 -0.196125 -0.949001
C -4.376194 1.072436 0.216734
C 3.465129 0.659940 0.370252
C 2.321814 -0.927041 -1.091510
C 3.517979 -0.530098 -0.423814
C -3.878717 -2.330331 -0.742468
C 5.543839 -1.611661 0.296801
H -1.558225 -0.923754 -0.077125
H 0.481922 3.921227 0.135567
H -4.391954 3.254807 0.413430
H 2.252953 2.283021 1.138439
H 0.239237 -0.512884 -1.503895
H -5.460372 0.950581 0.299791
H 4.379668 1.030376 0.849382
H 2.363547 -1.814234 -1.731740
H -3.073548 -2.256663 -1.499471
H -4.245071 -4.296032 -1.375387
H 6.892958 -2.339609 -1.074696
H 7.418311 -2.569106 0.588730
H 6.008121 -1.804907 2.360918
H 4.464441 -1.070522 1.994634
H -6.298937 -3.184626 0.074646
H -5.221627 -3.884286 1.161063


