%chk=000048714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048714

0 1
 O   -2.702100      -1.008900      0.2261000    
 N  -0.5044000      -1.303700      0.8135000    
 C    1.331700     -0.2555000     -0.4740000    
 C   0.3647000      0.9571000     -0.5552000    
 C   0.8640000     -0.7878000      0.8942000    
 C   0.5109000       1.613000      0.8390000    
 C   0.8463000      0.4582000       1.793300    
 C   -1.087100      0.4732000     -0.8070000    
 C    1.200800      -1.283200      -1.612100    
 C    2.812500      0.1867000     -0.4561000    
 C   -1.525400     -0.6573000      0.1365000    
 C   -2.111900       1.608000     -0.7982000    
 H   0.6582000       1.659900      -1.343700    
 H    1.500200      -1.581500       1.297000    
 H  -0.3769000       2.157600       1.168900    
 H    1.332500       2.339100      0.8337000    
 H    1.827300      0.6252000       2.251800    
 H   0.1145000      0.3832000       2.605300    
 H   -1.119900      4.3600000E-02  -1.817200    
 H  -0.7528000      -2.082500       1.415600    
 H    1.397700     -0.8109000      -2.581200    
 H   0.2177000      -1.756600      -1.673800    
 H    1.925300      -2.095800      -1.482600    
 H    3.045200      0.9276000      0.3130000    
 H    3.092100      0.6290000      -1.419300    
 H    3.469600     -0.6725000     -0.2784000    
 H   -3.059500       1.269200      -1.232500    
 H   -2.337200       1.952300      0.2159000    
 H   -1.761900       2.460100      -1.389600    


%chk=000048714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048714

0 1
O -2.738066 -1.037366 0.169380
N -0.525304 -1.294274 0.808065
C 1.337533 -0.262602 -0.470474
C 0.370957 0.976982 -0.537557
C 0.875121 -0.810843 0.919111
C 0.510995 1.618687 0.885458
C 0.925736 0.443391 1.840055
C -1.083027 0.499758 -0.832855
C 1.187197 -1.282122 -1.624317
C 2.821047 0.186995 -0.429762
C -1.529709 -0.651982 0.097769
C -2.138521 1.627602 -0.848257
H 0.675640 1.686105 -1.330999
H 1.499570 -1.646234 1.283202
H -0.430709 2.091796 1.209575
H 1.277247 2.413913 0.883380
H 1.941745 0.589169 2.248445
H 0.237474 0.329128 2.694796
H -1.088543 0.053584 -1.850092
H -0.835021 -2.062017 1.410252
H 1.300030 -0.779072 -2.603385
H 0.217038 -1.804880 -1.614561
H 1.977650 -2.053156 -1.556325
H 3.011357 0.992761 0.298664
H 3.125535 0.559940 -1.425528
H 3.481900 -0.663993 -0.176744
H -3.130888 1.202477 -1.073046
H -2.214437 2.142054 0.126123
H -1.887445 2.380997 -1.617474


