%chk=000108105.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108105

0 1
 O   -2.263200      -1.975600      -1.774000    
 O   -3.990300      -2.241500     -0.3319000    
 O   0.5227000      -1.214300       1.918900    
 O    3.739300      0.9518000      -1.954900    
 O    4.661700       1.972100     -0.1522000    
 N  -0.6547000     -0.9081000     -5.9799999E-02
 N    5.452800     -0.4946000      0.7894000    
 C   -2.850600       1.117800     -0.1559000    
 C   -4.307000       1.510200     -0.5321000    
 C   -3.410900       2.365500      0.1385000    
 C   -2.631200      0.1319000      0.9534000    
 C   -1.973200      -1.164200      0.4720000    
 C   -3.226500       3.553800      0.6703000    
 C   -2.853200      -1.847500     -0.5615000    
 C   0.4925000     -0.9559000      0.7188000    
 C    1.734200     -0.6361000     -9.6299998E-02
 C    3.012000     -0.6833000      0.7439000    
 C    4.277900     -0.4338000     -8.3300002E-02
 C    4.267600      0.9518000     -0.7032000    
 H   -2.091200       1.123700     -0.9246000    
 H   -4.518400       1.731200      -1.569000    
 H   -5.126200       1.106200      4.5499999E-02
 H   -3.580400     -0.1075000       1.450300    
 H   -1.987500      0.5941000       1.713600    
 H   -1.868100      -1.859900       1.312900    
 H   -4.020100       4.292300      0.6708000    
 H   -2.276800       3.820200       1.120100    
 H  -0.5705000     -0.6791000      -1.046400    
 H    1.799900      -1.357600     -0.9192000    
 H    1.592500      0.3618000     -0.5261000    
 H    3.084400      -1.662900       1.234900    
 H    2.930900      6.2100001E-02   1.547200    
 H    4.393600      -1.182300     -0.8746000    
 H   -2.852300      -2.414500      -2.424000    
 H    5.345000      0.1614000       1.562800    
 H    5.510100      -1.418800       1.216500    
 H    3.723000       1.851800      -2.344700    


%chk=000108105-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108105

0 1
O -2.433811 -1.368123 -2.220399
O -4.163927 -1.890703 -0.760647
O 0.357071 -1.374135 1.689616
O 4.341245 -0.573190 -2.146451
O 4.963287 1.470308 -1.239682
N -0.646147 -0.945223 -0.355639
N 5.289625 0.189016 1.234936
C -2.669562 1.313046 0.224699
C -3.998518 1.651778 -0.557033
C -3.597155 2.393444 0.677498
C -2.542132 0.015413 1.016808
C -1.997368 -1.183355 0.171737
C -3.881189 3.346484 1.579006
C -2.984155 -1.528018 -0.935803
C 0.465422 -1.089114 0.454713
C 1.820538 -0.911309 -0.239450
C 2.834561 -0.197559 0.682907
C 4.337444 -0.381967 0.274498
C 4.596456 0.286360 -1.071539
H -1.738524 1.636466 -0.262384
H -3.910722 2.150510 -1.529802
H -4.820884 0.928355 -0.493783
H -3.522512 -0.274469 1.437288
H -1.841075 0.146590 1.860685
H -1.949262 -2.051980 0.858419
H -4.791304 3.953076 1.500093
H -3.214644 3.550776 2.425737
H -0.548850 -0.766799 -1.357154
H 2.205157 -1.922883 -0.482726
H 1.705559 -0.381609 -1.202926
H 2.716093 -0.619365 1.699013
H 2.610036 0.884560 0.750546
H 4.524794 -1.465630 0.153458
H -3.121582 -1.582283 -2.906305
H 5.452603 1.192821 1.111015
H 5.134568 -0.092242 2.205531
H 4.506664 -0.086851 -3.000380


