%chk=000051992.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051992

0 1
 O  -0.3916000       2.570600     -0.3089000    
 O    4.272900      0.6955000      0.1694000    
 N  -0.8242000      -1.534800     -0.1887000    
 C   -1.884700      0.6968000     -0.4586000    
 C   -2.865500       1.266200      0.5739000    
 C   -4.249800      0.6236000      0.4681000    
 C   -1.884800     -0.8099000     -0.3406000    
 C   -4.173300     -0.8972000      0.5966000    
 C   -3.228300      -1.496800     -0.4359000    
 C  -0.5334000       1.351700     -0.3011000    
 C   0.6334000      0.4621000     -0.1540000    
 C   0.4349000     -0.9218000     -0.1079000    
 C    1.919100       1.009200     -6.0400002E-02
 C    1.556800      -1.750300      3.3100002E-02
 C    3.021600      0.1686000      7.9000004E-02
 C    2.841200      -1.210900      0.1255000    
 C    5.355800     -0.2227000      0.3105000    
 H   -2.234000      0.9316000      -1.472700    
 H   -2.964300       2.350800      0.4442000    
 H   -2.472200       1.109000       1.587300    
 H   -4.704600      0.8892000     -0.4941000    
 H   -4.901000       1.025400       1.252600    
 H   -5.173100      -1.329000      0.4775000    
 H   -3.827200      -1.155800       1.605100    
 H   -3.617400      -1.347300      -1.449100    
 H   -3.115800      -2.573200     -0.2703000    
 H    2.074100       2.084500     -9.5700003E-02
 H    1.433900      -2.830700      7.2800003E-02
 H    3.651800      -1.923600      0.2327000    
 H    5.448000     -0.8738000     -0.5655000    
 H    5.282600     -0.7908000       1.244100    
 H    6.275600      0.3686000      0.3674000    


%chk=000051992-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051992

0 1
O -0.406141 2.592432 -0.527499
O 4.293672 0.729543 0.172451
N -0.860463 -1.602782 -0.229677
C -1.906523 0.678460 -0.483590
C -2.839287 1.253662 0.643570
C -4.260090 0.659509 0.536610
C -1.919847 -0.843510 -0.410127
C -4.235040 -0.885887 0.600286
C -3.290030 -1.481610 -0.484686
C -0.523039 1.334244 -0.416361
C 0.638501 0.430453 -0.210303
C 0.421506 -0.986726 -0.131726
C 1.941631 0.961886 -0.106132
C 1.540974 -1.831857 0.051233
C 3.045504 0.100721 0.078533
C 2.843916 -1.305635 0.157264
C 5.473742 -0.119891 0.360059
H -2.367873 0.989397 -1.445629
H -2.848720 2.353901 0.546798
H -2.402361 1.008408 1.631791
H -4.722162 0.983640 -0.418633
H -4.891809 1.062380 1.351342
H -5.253965 -1.295386 0.466606
H -3.883004 -1.208107 1.600332
H -3.732655 -1.284914 -1.483966
H -3.183840 -2.573293 -0.368654
H 2.090872 2.044033 -0.170457
H 1.364197 -2.910137 0.107807
H 3.687441 -1.987842 0.298981
H 5.607856 -0.816012 -0.490554
H 5.411408 -0.692473 1.305804
H 6.322128 0.578192 0.404828


