%chk=000095979.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095979

0 1
 O    2.872800       1.029400     -0.3487000    
 O    2.833100      -1.307500     -4.0600002E-02
 C   0.9926000      6.2000002E-03  0.7657000    
 C   0.1581000     -0.1257000     -0.5146000    
 C    2.511900     -3.5999998E-02  0.5382000    
 C   -1.329500     -9.7499996E-02 -0.2710000    
 C   -2.004200      -1.286100     -3.5999998E-02
 C   -1.999500       1.116900     -0.2861000    
 C   -3.380600      -1.259800      0.1892000    
 C   -3.375800       1.143100     -6.0699999E-02
 C   -4.066400     -4.5200001E-02  0.1769000    
 C    2.561700       2.314000      0.1740000    
 C    4.225700      -1.451800     -0.2863000    
 H   0.7013000      0.9149000       1.304600    
 H   0.7292000     -0.8301000       1.427900    
 H   0.4145000      -1.058700      -1.033300    
 H   0.4154000      0.6739000      -1.220700    
 H    3.043400      6.8300001E-02   1.492400    
 H   -1.478900      -2.236800     -2.2299999E-02
 H   -1.470000       2.047800     -0.4680000    
 H   -3.918200      -2.185000      0.3749000    
 H   -3.909700       2.089000     -6.9600001E-02
 H   -5.138000     -2.4800001E-02  0.3527000    
 H    1.500400       2.545000      5.0799999E-02
 H    3.124600       3.053800     -0.4028000    
 H    2.859200       2.402600       1.223600    
 H    4.561200     -0.7443000      -1.050000    
 H    4.404100      -2.465400     -0.6555000    
 H    4.796800      -1.312200      0.6366000    


%chk=000095979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095979

0 1
O 2.819214 1.124082 -0.393553
O 2.788881 -1.213964 -0.115179
C 0.889871 -0.009425 0.725706
C 0.090361 -0.206524 -0.590344
C 2.407566 0.021576 0.505945
C -1.409652 -0.176106 -0.342793
C -2.114926 -1.359223 0.000954
C -2.134966 1.042182 -0.410413
C -3.501493 -1.327175 0.273153
C -3.521728 1.080875 -0.139234
C -4.210714 -0.105160 0.205816
C 2.985087 2.402768 0.296464
C 4.239516 -1.360243 -0.299341
H 0.582878 0.936876 1.212328
H 0.656287 -0.826173 1.434958
H 0.396730 -1.168909 -1.036913
H 0.388081 0.589090 -1.297984
H 2.951805 0.159896 1.476877
H -1.571811 -2.311768 0.047461
H -1.608185 1.964509 -0.687306
H -4.029041 -2.252617 0.532147
H -4.065115 2.030978 -0.202034
H -5.286489 -0.078664 0.413542
H 2.018558 2.810433 0.658676
H 3.411216 3.097149 -0.444872
H 3.680400 2.314045 1.159221
H 4.627393 -0.580470 -0.977591
H 4.385547 -2.358531 -0.739312
H 4.769929 -1.301506 0.674922


