%chk=000016748.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016748

0 1
 I   0.9995000      0.4011000       3.200900    
 I    1.575400      -2.770000      -1.981500    
 I   -2.111400       2.185800      -1.831300    
 O   0.4092000      -1.750300      0.8583000    
 O   -4.474500      0.1550000     -0.8505000    
 O    5.298800       2.139600      0.5019000    
 O    5.673100       1.064300      -1.465300    
 O   -4.658300       1.355400       1.150800    
 C    1.525400      -1.029700      0.5414000    
 C  -0.8100000      -1.263600      0.4245000    
 C    3.805000      0.4422000     -0.1063000    
 C    1.981100     -3.3700000E-02   1.405100    
 C    2.209200      -1.289600     -0.6462000    
 C  -0.8490000     -8.5100003E-02 -0.3006000    
 C   -1.963700      -1.966700      0.7264000    
 C   -3.252100     -0.2901000     -0.4422000    
 C    3.121000      0.7022000       1.081200    
 C    3.349100     -0.5537000     -0.9700000    
 C   -2.079500      0.4054000     -0.7373000    
 C   -3.194100      -1.476100      0.2898000    
 C    4.993200       1.209900     -0.4443000    
 C   -5.108000       1.007500      6.7000002E-02
 C   -6.439300       1.440300     -0.4719000    
 H   3.3000000E-02  0.4917000     -0.5555000    
 H   -1.920000      -2.890000       1.296100    
 H    3.460400       1.474100       1.767300    
 H    3.884800     -0.7536000      -1.895400    
 H   -4.102800      -2.024700      0.5233000    
 H   -6.299200       1.979400      -1.412000    
 H   -6.921000       2.109900      0.2462000    
 H   -7.079000      0.5669000     -0.6198000    
 H    6.100900       2.652000      0.2644000    


%chk=000016748-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016748

0 1
I 1.229698 0.663014 3.197228
I 1.457005 -2.654647 -1.989336
I -2.396302 2.573511 -1.753363
O 0.428855 -1.454517 0.858034
O -4.621153 0.525758 -0.706294
O 5.935666 1.805005 0.466976
O 6.123648 0.598583 -1.511008
O -5.829554 0.049611 1.261182
C 1.625219 -0.816075 0.502018
C -0.821671 -0.905501 0.454658
C 4.143044 0.316139 -0.112122
C 2.223835 0.126949 1.381147
C 2.314424 -1.195210 -0.682440
C -0.929716 0.286091 -0.293010
C -1.961401 -1.631359 0.854590
C -3.369725 0.037434 -0.246217
C 3.475989 0.695075 1.078957
C 3.565512 -0.632599 -0.992074
C -2.215461 0.754320 -0.636975
C -3.237214 -1.158488 0.499812
C 5.469991 0.885067 -0.481096
C -5.793147 0.507484 0.105362
C -6.926392 1.127332 -0.675690
H -0.039310 0.841591 -0.597782
H -1.837709 -2.549030 1.435131
H 3.944187 1.419737 1.748106
H 4.109399 -0.912279 -1.898512
H -4.130793 -1.703497 0.808925
H -6.666493 2.162926 -0.955427
H -7.842859 1.120264 -0.068943
H -7.090762 0.569165 -1.613554
H 6.820392 2.153947 0.176218


