%chk=000114012.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114012

1 1
 O   -1.426800      0.1859000      0.7470000    
 O   -2.441700     -0.8181000      -1.088200    
 N    1.059700       1.437000      0.1499000    
 N   -3.605500      0.6877000      0.2385000    
 C   0.9399000      9.6000001E-02  0.1657000    
 C    2.073900     -0.6962000     -0.1197000    
 C  -0.2879000     -0.5051000      0.4602000    
 C    3.284700     -5.2700002E-02 -0.4094000    
 C    1.945400      -2.094000     -0.1024000    
 C    2.211100       2.063600     -0.1257000    
 C  -0.3966000      -1.895100      0.4728000    
 C    3.354500       1.336300     -0.4126000    
 C  -6.2300000E-02   2.341100      0.4331000    
 C   0.7161000      -2.687300      0.1925000    
 C   -2.501500     -5.2900001E-02 -0.1303000    
 C   -4.863100      0.6539000     -0.4713000    
 H    4.179300     -0.6287000     -0.6342000    
 H    2.800500      -2.731200     -0.3166000    
 H    2.230800       3.147600     -0.1213000    
 H   -1.333000      -2.386900      0.7251000    
 H    4.288300       1.840800     -0.6364000    
 H  -0.4229000       2.158400       1.448500    
 H   0.2584000       3.387600      0.3991000    
 H  -0.8209000       2.217500     -0.3432000    
 H   0.6285000      -3.769900      0.2094000    
 H   -3.527800       1.293200       1.049700    
 H   -5.650600      0.3986000      0.2418000    
 H   -4.843900     -7.8500003E-02  -1.281500    
 H   -5.052000       1.650700     -0.8770000    


%chk=000114012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114012

1 1
O -1.464290 0.284849 0.492145
O -2.700545 -0.766999 -1.272899
N 1.154598 1.545283 0.057983
N -3.724965 0.613344 0.347909
C 0.958721 0.145304 0.095082
C 2.136234 -0.703519 -0.031058
C -0.319989 -0.492165 0.250292
C 3.427633 -0.105725 -0.140571
C 2.000329 -2.125834 -0.047876
C 2.407283 2.078222 -0.049810
C -0.410349 -1.893058 0.223749
C 3.566293 1.283446 -0.140169
C 0.011583 2.517922 0.098129
C 0.740487 -2.710895 0.065642
C -2.704368 -0.042907 -0.261895
C -5.107317 0.561417 -0.162155
H 4.305932 -0.753228 -0.227806
H 2.899737 -2.740718 -0.149718
H 2.467382 3.167994 -0.071736
H -1.393292 -2.358049 0.332648
H 4.538936 1.771818 -0.220194
H -0.547906 2.402784 1.035162
H 0.423752 3.534930 0.028169
H -0.662670 2.337407 -0.750884
H 0.626823 -3.798120 0.047993
H -3.523844 1.118348 1.212707
H -5.778728 0.101304 0.583047
H -5.121660 -0.048859 -1.077782
H -5.471197 1.575005 -0.402602


