%chk=000038057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038057

0 1
 O    1.412200      -2.275300      0.4010000    
 O    2.698400       2.909000      0.2736000    
 N   -3.700200     -0.3890000      7.4999998E-03
 N  -0.4355000     -0.4881000       1.325100    
 C   -4.736200      0.5583000      0.4422000    
 C   -4.162800      -1.197300      -1.129300    
 C   -5.134300       1.501000     -0.6946000    
 C   -4.542200     -0.3123000      -2.317500    
 C   -5.588700      0.7245000      -1.925100    
 C   -3.297000      -1.251500       1.117900    
 C   -2.698200     -0.4129000       2.248700    
 C   -1.476400      0.3855000       1.799200    
 C   0.7651000     -3.8899999E-02  0.8545000    
 C    1.710600      -1.085900      0.3700000    
 C    3.024500     -0.6569000     -0.1507000    
 C    1.120600       1.251100      0.8091000    
 C    3.369900      0.6944000     -0.1865000    
 C    2.424800       1.715200      0.2949000    
 C    3.931500      -1.618600     -0.6124000    
 C    4.619000       1.087100     -0.6815000    
 C    5.175900      -1.224800      -1.106000    
 C    5.519100      0.1253000      -1.140100    
 H   -4.386800       1.211600       1.245900    
 H   -5.624700      2.8000001E-02  0.8097000    
 H   -5.022200      -1.818000     -0.8434000    
 H   -3.363900      -1.875800      -1.452600    
 H   -4.281200       2.138800     -0.9596000    
 H   -5.939000       2.166100     -0.3607000    
 H   -4.925800     -0.9337000      -3.134500    
 H   -3.647100      0.1974000      -2.696300    
 H   -6.539600      0.2215000      -1.710100    
 H   -5.768600       1.411900      -2.758900    
 H   -4.152800      -1.818900       1.507000    
 H   -2.565400      -1.992200      0.7752000    
 H   -3.431500      0.2418000       2.729100    
 H   -2.385000      -1.108800       3.039400    
 H   -1.113200      0.9543000       2.664200    
 H   -1.758900       1.111400       1.028100    
 H  -0.5545000      -1.493600       1.389500    
 H   0.4612000       2.041900       1.153100    
 H    3.688800      -2.677800     -0.5964000    
 H    4.908100       2.134000     -0.7181000    
 H    5.878400      -1.972100      -1.463700    
 H    6.488600      0.4291000      -1.524400    


%chk=000038057-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038057

0 1
O 1.536968 -2.328896 0.754838
O 2.759781 2.950120 -0.204925
N -3.879865 -0.294950 0.067275
N -0.293663 -0.473548 1.355877
C -5.123805 0.384717 0.515380
C -4.076731 -0.968188 -1.244974
C -5.591886 1.433114 -0.514387
C -4.512625 0.038121 -2.329160
C -5.796714 0.784031 -1.901373
C -3.325276 -1.210523 1.093407
C -2.610924 -0.456131 2.241427
C -1.415628 0.383581 1.755996
C 0.879283 -0.016452 0.826848
C 1.865225 -1.119969 0.516301
C 3.177010 -0.733634 -0.054547
C 1.193049 1.318957 0.579881
C 3.476687 0.639219 -0.295532
C 2.471067 1.721021 0.020559
C 4.133286 -1.735631 -0.359027
C 4.732362 0.990880 -0.837681
C 5.383774 -1.374828 -0.899895
C 5.682796 -0.009788 -1.138867
H -4.935057 0.876703 1.486965
H -5.945656 -0.363586 0.679130
H -4.849589 -1.779300 -1.169377
H -3.122495 -1.446893 -1.534160
H -4.825358 2.228736 -0.587781
H -6.529435 1.901854 -0.158347
H -4.671668 -0.499625 -3.283593
H -3.695269 0.767942 -2.488110
H -6.640879 0.065020 -1.850081
H -6.069215 1.549280 -2.652272
H -4.114677 -1.873205 1.531298
H -2.600063 -1.878522 0.588944
H -3.324094 0.218582 2.748954
H -2.279028 -1.186836 3.006870
H -1.079275 1.078650 2.553808
H -1.745191 0.993123 0.889832
H -0.346610 -1.492142 1.481977
H 0.484499 2.122429 0.800618
H 3.875137 -2.781465 -0.163789
H 4.935830 2.052191 -1.011963
H 6.123661 -2.147183 -1.135038
H 6.655260 0.269828 -1.558803


