%chk=000070923.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070923

0 1
 O    2.030200      -1.532500       1.187200    
 O    2.879600      -1.534000     -0.9154000    
 O   -4.260500     -0.5191000      -1.162300    
 N    3.644800       1.105400     -0.5579000    
 N   -2.867500     -0.4226000      0.7151000    
 C  -3.8699999E-02  0.7274000      0.4014000    
 C    1.208800       1.202800     -0.3501000    
 C   -1.349500       1.348400     -9.8300003E-02
 C    2.503500      0.5966000      0.2073000    
 C   -2.585600      0.9843000      0.7189000    
 C    2.510400     -0.9166000      7.5599998E-02
 C   -3.675400      -1.040000     -0.2215000    
 H  -0.1267000     -0.3614000      0.3179000    
 H   7.9000004E-02  0.9576000       1.467600    
 H    1.097200      0.9428000      -1.411300    
 H    1.262300       2.297700     -0.2939000    
 H   -1.503100       1.052500      -1.143700    
 H   -1.246300       2.440500     -9.2900001E-02
 H    2.641200      0.8683000       1.259900    
 H   -3.455200       1.519900      0.3220000    
 H   -2.452700       1.287800       1.762800    
 H    4.512200      0.7717000     -0.1388000    
 H    3.672700       2.122400     -0.4936000    
 H   -2.443300     -0.9969000       1.437700    
 H   -3.741500      -2.122200     -2.1700000E-02
 H    2.025000      -2.508700       1.090700    


%chk=000070923-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070923

0 1
O 2.080393 -1.595207 1.210365
O 3.219046 -1.473851 -0.806434
O -4.452751 -0.382039 -1.106101
N 3.783399 1.206326 -0.273102
N -2.928390 -0.447691 0.672667
C -0.044871 0.720723 0.493418
C 1.230444 1.137892 -0.271859
C -1.322221 1.341262 -0.115045
C 2.582785 0.620625 0.339847
C -2.614229 0.994314 0.662732
C 2.685968 -0.890617 0.163400
C -3.819143 -1.017346 -0.217433
H -0.131763 -0.382644 0.498291
H 0.049117 1.031647 1.555650
H 1.171387 0.815921 -1.330982
H 1.299546 2.245255 -0.279806
H -1.441599 1.012645 -1.165493
H -1.224857 2.446211 -0.134886
H 2.567689 0.834317 1.425194
H -3.475861 1.501291 0.194723
H -2.532491 1.343533 1.710258
H 4.085877 0.727277 -1.126916
H 3.769251 2.225685 -0.349367
H -2.453531 -1.054715 1.343354
H -3.927510 -2.116277 -0.063105
H 2.165214 -2.572435 1.033331


