%chk=000004360.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004360

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   7.9099998E-02  0.9576000       1.467700    
 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     -2.1600001E-02
 H    2.025000      -2.508700       1.090700    


%chk=000004360-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004360

0 1
O 2.080741 -1.594976 1.210860
O 3.218599 -1.473996 -0.806411
O -4.452797 -0.381669 -1.106167
N 3.783385 1.206229 -0.273428
N -2.928389 -0.447808 0.672543
C -0.044841 0.720632 0.493394
C 1.230419 1.137883 -0.271933
C -1.322234 1.341307 -0.114839
C 2.582804 0.620690 0.339729
C -2.614185 0.994189 0.662956
C 2.685907 -0.890587 0.163529
C -3.819187 -1.017214 -0.217673
H -0.131775 -0.382735 0.498081
H 0.049256 1.031364 1.555671
H 1.171350 0.815883 -1.331045
H 1.299458 2.245248 -0.279899
H -1.441689 1.012924 -1.165351
H -1.224865 2.446259 -0.134442
H 2.567844 0.834583 1.425035
H -3.475841 1.501315 0.195152
H -2.532349 1.343130 1.710566
H 4.085552 0.727272 -1.127399
H 3.769475 2.225605 -0.349474
H -2.453542 -1.055011 1.343075
H -3.927586 -2.116179 -0.063612
H 2.165491 -2.572239 1.033984


