%chk=000022629.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022629

0 1
 O  -4.1900001E-02  7.6800004E-02  8.9900002E-02
 O    1.094100       2.008300      0.6170000    
 O    3.533100       1.939500     -0.5786000    
 C   -3.781900      0.4352000      6.4700000E-02
 C   -4.950500     -0.5236000     -0.1800000    
 C   -2.412900     -0.2328000     -5.3700000E-02
 C   -6.319900      0.1505000     -8.5800000E-02
 C   -1.285100      0.7507000      0.2296000    
 C   -7.446500     -0.8562000     -0.2641000    
 C    1.073500      0.8259000      0.3125000    
 C    2.300800      9.3999999E-03  0.1342000    
 C    3.466700      0.6066000     -0.3015000    
 C    2.229800      -1.341300      0.4144000    
 C    4.608400     -0.1782000     -0.4637000    
 C    3.371600      -2.126100      0.2521000    
 C    4.560800      -1.544500     -0.1869000    
 H   -3.885500      0.8746000       1.064600    
 H   -3.842500       1.263400     -0.6525000    
 H   -4.840500     -0.9794000      -1.171800    
 H   -4.897300      -1.340500      0.5507000    
 H   -2.284900     -0.6580000      -1.056900    
 H   -2.342000      -1.077900      0.6422000    
 H   -6.426400      0.6397000      0.8894000    
 H   -6.403100      0.9301000     -0.8516000    
 H   -1.328400       1.585500     -0.4798000    
 H   -1.375700       1.141800       1.249800    
 H   -8.416800     -0.3545000     -0.1959000    
 H   -7.384500      -1.344900      -1.241500    
 H   -7.408800      -1.629100      0.5102000    
 H    1.322000      -1.818400      0.7718000    
 H    5.541800      0.2613000     -0.8051000    
 H    3.335800      -3.189400      0.4708000    
 H    5.450000      -2.155500     -0.3125000    
 H    4.435000       2.159000     -0.8690000    


%chk=000022629-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022629

0 1
O -0.043712 0.088996 -0.021290
O 1.048465 2.142908 0.068563
O 3.791781 2.007019 -0.158168
C -3.850711 0.466121 0.016047
C -5.008213 -0.553476 -0.075061
C -2.456415 -0.201025 -0.045146
C -6.405195 0.104504 -0.005874
C -1.332638 0.832701 0.033150
C -7.557582 -0.918785 -0.099351
C 1.116882 0.893260 0.008959
C 2.345854 0.048572 -0.033237
C 3.654040 0.619103 -0.106008
C 2.237089 -1.370072 0.007572
C 4.797735 -0.221262 -0.132098
C 3.370923 -2.202901 -0.017052
C 4.659323 -1.621138 -0.086680
H -3.945400 1.042217 0.960146
H -3.947065 1.202283 -0.809155
H -4.919987 -1.126004 -1.021990
H -4.911950 -1.294097 0.746214
H -2.355776 -0.776999 -0.985414
H -2.348360 -0.921943 0.788376
H -6.492406 0.675380 0.941149
H -6.499606 0.846167 -0.825238
H -1.363824 1.548408 -0.809718
H -1.364850 1.414883 0.973525
H -8.544589 -0.423579 -0.046745
H -7.512093 -1.481612 -1.050907
H -7.503409 -1.653054 0.726621
H 1.233414 -1.798359 0.060488
H 5.797133 0.230583 -0.188760
H 3.255617 -3.290570 0.017699
H 5.553167 -2.254162 -0.106272
H 4.750658 2.253933 -0.211346


