%chk=000128804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128804

1 1
 O    1.037900      0.6431000     -0.1610000    
 O    4.778700      -1.112800      6.4300001E-02
 O    3.642600       1.051300      -1.260300    
 O   3.1700000E-02  -1.440300     -0.4705000    
 O    2.395100      -2.697700      0.4790000    
 O   0.5274000       3.275500      0.4303000    
 N   -5.163400      0.3489000      0.1607000    
 N   -6.189600      0.7018000      0.2853000    
 C    3.540600     -0.5775000      0.5236000    
 C    3.433100      0.9001000      0.1452000    
 C    2.390100      -1.383600     -7.8500003E-02
 C    2.038500       1.426300      0.5017000    
 C    1.044600     -0.7269000      0.2381000    
 C    1.838800       2.875700      7.4500002E-02
 C   -1.252600     -0.9966000     -0.3138000    
 C   -1.827600     -0.9771000      0.9533000    
 C   -1.975400     -0.5692000      -1.423500    
 C   -3.138000     -0.5261000       1.112200    
 C   -3.285700     -0.1181000      -1.264400    
 C   -3.867000     -9.6600004E-02  3.5000001E-03
 H    3.534800     -0.6789000       1.616200    
 H    4.217100       1.477100      0.6470000    
 H    2.528000      -1.500200      -1.160200    
 H    1.862700       1.350300       1.582800    
 H   0.8521000     -0.8000000       1.316600    
 H    1.934800       3.001600      -1.008600    
 H    2.553500       3.538200      0.5714000    
 H    4.797600      -2.054200      0.3080000    
 H    2.876300      0.6756000      -1.725600    
 H    1.639400      -3.177700      9.8899998E-02
 H  -9.4300002E-02   2.670700     -9.8000001E-03
 H   -1.282300      -1.324700       1.825800    
 H   -1.526500     -0.5838000      -2.412600    
 H   -3.585300     -0.5162000       2.102600    
 H   -3.847100      0.2150000      -2.133100    


%chk=000128804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128804

1 1
O 0.995693 0.637604 0.039044
O 4.776253 -1.047833 -0.334529
O 3.668373 1.346985 -1.033087
O -0.103377 -1.354014 -0.563069
O 2.470600 -2.796031 -0.149721
O 0.552616 3.069481 1.336950
N -5.398412 0.149144 -0.081166
N -6.519794 0.446356 0.015196
C 3.528972 -0.706717 0.335661
C 3.457887 0.839148 0.315571
C 2.329470 -1.361839 -0.387870
C 2.081927 1.316049 0.807949
C 1.037005 -0.788151 0.209018
C 1.826003 2.805389 0.641329
C -1.379690 -0.892636 -0.394382
C -1.754043 0.240762 0.405258
C -2.370497 -1.647530 -1.104953
C -3.099254 0.585055 0.511509
C -3.715877 -1.314435 -1.010411
C -4.081072 -0.193531 -0.189320
H 3.529379 -1.068463 1.387148
H 4.238812 1.222251 1.007411
H 2.358010 -1.101889 -1.464853
H 1.967683 1.048417 1.881628
H 0.896560 -1.091289 1.272333
H 1.769183 3.054357 -0.433743
H 2.662915 3.366714 1.103203
H 4.868748 -2.033651 -0.370543
H 4.476852 0.894475 -1.392942
H 1.931013 -3.308739 -0.801569
H 0.375051 4.042611 1.336624
H -0.989503 0.869267 0.871940
H -2.045159 -2.493347 -1.715896
H -3.402333 1.448578 1.111146
H -4.479394 -1.889547 -1.541762


