%chk=000138243.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138243

0 1
 O    2.750300      0.1097000     -0.1094000    
 O    3.120900      -2.132400      0.2005000    
 O   -3.631500      0.9561000      0.6029000    
 C   0.4452000      6.2799998E-02 -0.4543000    
 C    1.604900      0.9866000     -7.2800003E-02
 C   0.8610000      -1.261100      0.1630000    
 C  -0.9444000      0.5127000     -3.3199999E-02
 C    1.520100       1.590100       1.332900    
 C    1.816700       2.093400      -1.104700    
 C    2.357200      -1.186400      8.4899999E-02
 C   -2.002600     -0.5238000     -0.3991000    
 C   -3.396800     -0.1124000      4.0500000E-02
 C   -4.501000      -1.095200     -0.2513000    
 H   0.4499000     -7.5300001E-02  -1.546000    
 H   0.4974000      -2.110600     -0.4215000    
 H   0.5633000      -1.357500       1.211300    
 H   -1.183700       1.471400     -0.5093000    
 H  -0.9850000      0.6832000       1.049300    
 H    2.457500       2.098200       1.588400    
 H   0.7069000       2.317800       1.416200    
 H    1.377300      0.8176000       2.096200    
 H    1.979100       1.673700      -2.104000    
 H   0.9609000       2.774400      -1.147500    
 H    2.714200       2.677100     -0.8700000    
 H   -2.021500     -0.6741000      -1.484100    
 H   -1.789700      -1.483200      8.3999999E-02
 H   -4.302000      -2.035200      0.2692000    
 H   -4.564000      -1.266000      -1.328800    
 H   -5.455500     -0.6926000      9.8800004E-02


%chk=000138243-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000138243

0 1
O 2.845889 0.159578 -0.173412
O 3.365609 -2.090613 0.080289
O -3.686583 1.098457 0.449263
C 0.446180 0.017895 -0.418950
C 1.598198 1.029689 -0.086281
C 0.982597 -1.318627 0.144887
C -0.948985 0.439254 0.080119
C 1.553564 1.592765 1.345840
C 1.766024 2.131682 -1.136704
C 2.507484 -1.194397 0.027454
C -2.059283 -0.517411 -0.394543
C -3.471904 -0.048703 -0.024545
C -4.601415 -1.047446 -0.249585
H 0.414435 -0.070296 -1.525314
H 0.642075 -2.216488 -0.394567
H 0.719329 -1.451924 1.212673
H -1.191643 1.459186 -0.272969
H -0.962731 0.486845 1.185263
H 2.495550 2.125858 1.559051
H 0.717543 2.304624 1.462208
H 1.437608 0.793406 2.099259
H 1.931538 1.694959 -2.136587
H 0.861622 2.766046 -1.173179
H 2.629086 2.774602 -0.893258
H -2.028252 -0.628561 -1.500643
H -1.913355 -1.542029 0.004697
H -4.610330 -1.781638 0.580192
H -4.461325 -1.617545 -1.185646
H -5.573426 -0.530167 -0.262912


