%chk=000129680.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129680

0 1
 O    2.329100       1.450000      0.9845000    
 O    2.585100      -2.671300      -1.417800    
 N    2.146200      -1.129000      0.2707000    
 N    1.032700       2.176800     -0.7980000    
 N   -2.996100     -1.1600000E-02  3.1099999E-02
 N   -5.007400      -1.245600      0.4802000    
 N   -5.048300      0.6021000     -0.8539000    
 C    1.362800     -0.2017000     -0.5040000    
 C  -0.1275000     -0.5644000     -0.4965000    
 C  -0.7691000     -0.5449000      0.8991000    
 C    1.633200       1.212900     -6.9999998E-04
 C   -2.240700     -0.9472000      0.8659000    
 C    1.164600       3.593700     -0.5494000    
 C    2.693000      -2.290200     -0.2551000    
 C    2.024800       3.865900      0.6673000    
 C    3.485900      -3.064000      0.7638000    
 C   -4.268500     -0.2314000     -8.7099999E-02
 H    1.720900     -0.2478000      -1.540900    
 H  -0.6750000      0.1132000      -1.161200    
 H  -0.2474000      -1.570600     -0.9195000    
 H  -0.2356000      -1.230700       1.567100    
 H  -0.6826000      0.4598000       1.329800    
 H   -2.324800      -1.967900      0.4733000    
 H   -2.625600     -0.9362000       1.892700    
 H    2.293600     -0.9230000       1.255100    
 H   0.4996000       1.893900      -1.614300    
 H    1.600500       4.047300      -1.444800    
 H   0.1577000       4.000700     -0.4156000    
 H    1.584300       3.491200       1.597200    
 H    3.062300       3.539000      0.5419000    
 H    2.084300       4.954000      0.8000000    
 H    3.735400      -4.051000      0.3647000    
 H    4.408800      -2.524700      0.9941000    
 H    2.901200      -3.193700       1.679000    
 H   -6.005800      -1.318800      0.3170000    
 H   -4.590000      -1.950400       1.077200    
 H   -4.645800       1.397500      -1.337600    
 H   -6.044900      0.4471000     -0.9600000    


%chk=000129680-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129680

0 1
O 2.470838 1.361945 0.801897
O 2.555989 -3.206756 -0.863483
N 2.493340 -1.283611 0.454189
N 0.246966 1.545064 0.114196
N -2.290623 0.295578 -0.031315
N -4.692078 0.121590 -0.197437
N -3.602047 2.151281 -0.644927
C 1.498026 -0.562538 -0.362181
C 0.144586 -1.297985 -0.507646
C -0.705874 -1.418943 0.784860
C 1.429222 0.869296 0.238806
C -2.189930 -1.083049 0.510699
C 0.119856 2.926175 0.614441
C 2.991168 -2.525436 0.121931
C 0.277825 3.977389 -0.507116
C 4.101824 -3.049012 1.032506
C -3.478059 0.807493 -0.280588
H 1.907910 -0.452928 -1.391705
H -0.438210 -0.751730 -1.274536
H 0.369709 -2.293300 -0.926697
H -0.638524 -2.441505 1.199829
H -0.332292 -0.733651 1.568785
H -2.587810 -1.828010 -0.218448
H -2.779028 -1.192071 1.449531
H 2.998656 -0.675555 1.112126
H -0.660976 1.047693 -0.111354
H -0.870831 3.023355 1.100760
H 0.896844 3.087034 1.382566
H 1.281113 3.901678 -0.960333
H -0.468566 3.829371 -1.311050
H 0.156350 4.999862 -0.103147
H 3.755169 -3.970034 1.533550
H 4.973774 -3.321916 0.413705
H 4.416506 -2.322947 1.801621
H -5.573706 0.621872 -0.117994
H -4.691153 -0.879736 -0.027442
H -2.746787 2.703143 -0.658503
H -4.368276 2.449892 -1.244798


