%chk=000047415.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047415

0 1
 O    2.591100       2.567800      0.3028000    
 C    3.369200       1.462900      0.6526000    
 C    2.233700       1.440900     -0.4642000    
 C    4.477800      0.7447000     -1.2000000E-02
 C    1.594800      0.1051000     -0.2104000    
 C    4.025200     -0.7468000     -0.1707000    
 C    2.505900     -0.9944000     -0.1384000    
 C   0.2035000     -0.1223000     -0.1165000    
 C    2.020200      -2.292500      8.0000004E-03
 C  -0.2671000      -1.446700      4.2700000E-02
 C   0.6469000      -2.512600      9.8200001E-02
 C  -0.7389000      0.9241000     -0.1822000    
 C   -1.648400      -1.685200      0.1372000    
 C   -2.120600      0.6848000     -8.8000000E-02
 C   -2.581300     -0.6379000      7.4900001E-02
 C   -3.053100       1.733900     -0.1519000    
 C   -3.962300     -0.8785000      0.1696000    
 C   -4.421300       1.478900     -5.6200001E-02
 C   -4.875500      0.1739000      0.1045000    
 H    3.190800       1.081800       1.652900    
 H    2.482800       1.586400      -1.513400    
 H    5.394900      0.7910000      0.5852000    
 H    4.718300       1.174000     -0.9924000    
 H    4.463100      -1.312400      0.6625000    
 H    4.441400      -1.155800      -1.098600    
 H    2.703400      -3.135200      6.6100001E-02
 H   0.2929000      -3.535200      0.2178000    
 H  -0.3945000       1.950600     -0.3069000    
 H   -2.006000      -2.707800      0.2602000    
 H   -2.720100       2.762200     -0.2771000    
 H   -4.339300      -1.891400      0.2953000    
 H   -5.131000       2.299300     -0.1072000    
 H   -5.940300     -2.6100000E-02  0.1792000    


%chk=000047415-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047415

0 1
O 2.652850 2.734385 0.288434
C 3.480234 1.473064 0.516292
C 2.322705 1.398397 -0.411101
C 4.670981 0.756438 -0.086287
C 1.577060 0.129961 -0.120332
C 4.070921 -0.731037 -0.127807
C 2.520290 -0.924989 -0.064857
C 0.160404 -0.105455 -0.065181
C 2.024674 -2.274193 0.042085
C -0.313091 -1.481302 0.056358
C 0.660594 -2.542463 0.101806
C -0.779778 0.952501 -0.117116
C -1.706028 -1.728339 0.116997
C -2.173547 0.703439 -0.059308
C -2.649950 -0.672840 0.061955
C -3.142718 1.769068 -0.113195
C -4.070203 -0.912051 0.121994
C -4.506221 1.498721 -0.052789
C -4.975350 0.143061 0.065931
H 3.269665 1.131781 1.540857
H 2.547843 1.538613 -1.479234
H 5.592421 0.779172 0.521918
H 4.908818 1.113297 -1.102880
H 4.497119 -1.303885 0.719289
H 4.440972 -1.230240 -1.044873
H 2.744104 -3.101631 0.081803
H 0.306851 -3.576780 0.187824
H -0.415451 1.984044 -0.194142
H -2.063476 -2.761985 0.209107
H -2.783936 2.801363 -0.201664
H -4.426731 -1.945190 0.213316
H -5.233161 2.317252 -0.094107
H -6.052665 -0.050679 0.112511


