%chk=000018298.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018298

0 1
 O  -0.7409000     -0.8942000     -6.3999998E-03
 O   -1.870600      0.6654000       1.270800    
 C   0.5416000     -0.3845000      0.3428000    
 C    1.620100      -1.389100     -6.1000001E-02
 C   0.7552000      0.9710000     -0.3293000    
 C    3.020400     -0.8460000      0.2040000    
 C    2.155500       1.514300     -6.4300001E-02
 C    3.233200      0.5096000     -0.4656000    
 C   -1.802500     -0.1061000      0.3272000    
 C   -2.875700     -0.3472000     -0.6595000    
 C   -4.036300      0.3069000     -0.5588000    
 H   0.5813000     -0.2649000       1.434100    
 H    1.511100      -1.639200      -1.124400    
 H    1.471600      -2.330500      0.4816000    
 H   2.7100001E-02   1.714000      1.2500000E-02
 H   0.5935000      0.8743000      -1.411200    
 H    3.768100      -1.559000     -0.1611000    
 H    3.174600     -0.7466000       1.285500    
 H    2.258600       1.753800       1.001200    
 H    2.300000       2.449100     -0.6176000    
 H    4.220700      0.9019000     -0.1978000    
 H    3.224400      0.3825000      -1.555200    
 H   -2.706700      -1.057500      -1.461000    
 H   -4.823800      0.1298000      -1.283800    
 H   -4.235200       1.023400      0.2306000    


%chk=000018298-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018298

0 1
O -0.766240 -0.551059 -0.483979
O -1.885540 0.808851 1.063350
C 0.556733 -0.145687 0.103710
C 1.535716 -1.287766 -0.198690
C 1.008821 1.189993 -0.513375
C 2.955813 -0.921850 0.304843
C 2.426567 1.556219 -0.004668
C 3.438500 0.421763 -0.293894
C -1.910445 0.015252 0.088655
C -3.122817 -0.470066 -0.624005
C -4.365293 -0.063898 -0.255760
H 0.411486 -0.019895 1.194711
H 1.558610 -1.457964 -1.293165
H 1.179037 -2.222141 0.272676
H 0.286998 1.985869 -0.256904
H 1.023109 1.084361 -1.616295
H 3.660109 -1.735435 0.047690
H 2.946599 -0.845568 1.411770
H 2.386742 1.742884 1.088265
H 2.757439 2.500725 -0.476418
H 4.433538 0.684263 0.113815
H 3.558619 0.310523 -1.391196
H -2.953528 -1.164740 -1.453301
H -5.262131 -0.416427 -0.775507
H -4.493141 0.632992 0.580974


