%chk=000094111.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094111

0 1
 O    2.196700      0.8213000      0.8554000    
 O    3.851700     -0.8255000      0.3236000    
 C    1.261200      0.2788000     -7.7299997E-02
 C   0.4495000     -0.8242000      0.6256000    
 C   0.4363000       1.441800     -0.6596000    
 C  -0.6329000      -1.457400     -0.2521000    
 C  -0.4070000       2.211300      0.3703000    
 C   -1.689000      -2.188800      0.5806000    
 C   -1.713100       2.785100     -0.2003000    
 C   -2.971400      -2.502700     -0.1945000    
 C   -2.765200       1.746500     -0.6268000    
 C   -3.720300      -1.325500     -0.8439000    
 C   -3.254800      0.8594000      0.5243000    
 C   -4.244600     -0.2361000      0.1037000    
 C    3.099100     -0.1679000       1.342800    
 C    4.670700      7.7399999E-02 -0.4075000    
 C    5.433000     -0.6934000      -1.464200    
 H    1.805600     -0.1677000     -0.9188000    
 H   2.2900000E-02 -0.4325000       1.555900    
 H    1.093700      -1.654500      0.9331000    
 H  -0.1759000       1.077000      -1.488100    
 H    1.132300       2.162800      -1.110300    
 H  -0.1744000      -2.152100     -0.9662000    
 H   -1.118800     -0.6887000     -0.8473000    
 H   0.1975000       3.047300      0.7458000    
 H  -0.6323000       1.604800       1.249800    
 H   -1.948300      -1.617800       1.477700    
 H   -1.258500      -3.130000      0.9453000    
 H   -1.476500       3.419600      -1.063200    
 H   -2.159800       3.443400      0.5553000    
 H   -3.660900      -3.022000      0.4833000    
 H   -2.727700      -3.222700     -0.9865000    
 H   -2.367500       1.143000      -1.445600    
 H   -3.626900       2.284500      -1.042100    
 H   -4.599000      -1.762900      -1.338100    
 H   -3.129300     -0.8944000      -1.656500    
 H   -3.755300       1.501900       1.260200    
 H   -2.414000      0.4099000       1.049200    
 H   -5.094600      0.2565000     -0.3864000    
 H   -4.648900     -0.7120000       1.005500    
 H    3.802500      0.3469000       2.008600    
 H    2.606500     -0.9070000       1.979900    
 H    4.059900      0.8466000     -0.8915000    
 H    5.378300      0.5653000      0.2721000    
 H    6.079500     -2.8300000E-02  -2.043500    
 H    6.049400      -1.472700      -1.004100    
 H    4.741100      -1.196900      -2.147500    


%chk=000094111-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094111

0 1
O 2.235279 0.354728 0.936179
O 4.219506 -0.702812 0.010917
C 1.202081 -0.195097 0.002735
C 0.242113 -1.119628 0.791959
C 0.536677 1.028063 -0.665937
C -0.914680 -1.702809 -0.057872
C -0.237002 1.981837 0.285613
C -2.095639 -2.229356 0.793952
C -1.457255 2.681373 -0.374220
C -3.404084 -2.458514 -0.008675
C -2.629989 1.738156 -0.762780
C -3.982947 -1.242329 -0.788239
C -3.281879 1.006824 0.436687
C -4.402340 -0.000473 0.051090
C 3.361276 -0.528605 1.170977
C 4.921896 0.535242 -0.393052
C 5.841187 0.174565 -1.558590
H 1.728163 -0.782028 -0.780703
H -0.178517 -0.542406 1.638003
H 0.825450 -1.945015 1.247154
H -0.140044 0.651610 -1.457231
H 1.331576 1.591979 -1.190884
H -0.538644 -2.509260 -0.720125
H -1.297444 -0.912015 -0.725578
H 0.460615 2.749579 0.668828
H -0.582506 1.430689 1.178320
H -2.291227 -1.513203 1.616635
H -1.807741 -3.181225 1.285604
H -1.118950 3.222781 -1.282164
H -1.841379 3.454194 0.323709
H -4.182165 -2.828458 0.691147
H -3.233860 -3.277248 -0.739456
H -2.274870 0.996327 -1.505865
H -3.407730 2.333715 -1.284498
H -4.882189 -1.609444 -1.323779
H -3.277626 -0.932711 -1.584163
H -3.717591 1.770013 1.115169
H -2.502798 0.488677 1.023092
H -5.175105 0.557503 -0.518500
H -4.901569 -0.353830 0.977634
H 3.908974 -0.054816 2.010031
H 3.044058 -1.557372 1.426048
H 4.178810 1.304399 -0.682276
H 5.501443 0.923881 0.473240
H 6.395324 1.066922 -1.903327
H 6.570126 -0.596549 -1.255133
H 5.253715 -0.220451 -2.405574


