%chk=000101602.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101602

0 1
 O   -4.871700      0.4735000      -1.586200    
 C  -0.6415000     -0.6414000      7.0900001E-02
 C   -1.673700      0.4690000      0.5101000    
 C   0.6769000     -0.4181000      0.9246000    
 C   -3.173400      0.2645000      8.0799997E-02
 C   -1.234400      -2.036700      0.3902000    
 C   -1.110000       1.873800      0.2071000    
 C   -3.605000      -1.194700      0.3671000    
 C    1.210500       1.000100      0.7626000    
 C   -2.638000      -2.241600     -0.1692000    
 C   0.2103000       2.113800      0.9410000    
 C    1.753600      -1.508300      0.6972000    
 C  -0.2941000     -0.5802000      -1.440100    
 C   -3.483300      0.6243000      -1.385200    
 C   -4.084200       1.176500      0.9477000    
 C    3.134400      -1.069600       1.176300    
 C    3.588600      0.2263000      0.4902000    
 C    2.507300       1.270300      0.5308000    
 C    4.046100     -5.5000000E-03 -0.9500000    
 C    4.562200       1.293700      -1.563100    
 C    5.119500      -1.089500      -1.002700    
 H   -1.705200      0.3978000       1.610400    
 H   0.3959000     -0.4993000       1.986400    
 H   -1.270000      -2.179200       1.478500    
 H  -0.5862000      -2.829600     -2.4000001E-03
 H   -1.811900       2.650200      0.5286000    
 H  -0.9700000       2.017200     -0.8698000    
 H   -4.608700      -1.402100     -2.3000000E-02
 H   -3.679800      -1.337200       1.454600    
 H   -2.627100      -2.230400      -1.263700    
 H   -2.993900      -3.237100      0.1228000    
 H   2.4999999E-03   2.210800       2.014800    
 H   0.6232000       3.076800      0.6171000    
 H    1.832800      -1.797000     -0.3534000    
 H    1.465200      -2.416800       1.240200    
 H   0.3600000      -1.406100      -1.736300    
 H   -1.163900     -0.6753000      -2.083700    
 H   0.2193000      0.3442000      -1.718700    
 H   -2.992100     -2.9100001E-02  -2.101300    
 H   -3.213400       1.660100      -1.613600    
 H   -3.977100       2.233300      0.6826000    
 H   -5.144500      0.9193000      0.8404000    
 H   -3.844800       1.075700       2.012700    
 H    3.072400     -0.8840000       2.258500    
 H    3.853100      -1.886700       1.075100    
 H    4.437000      0.6110000       1.073600    
 H    2.824300       2.307000      0.4444000    
 H    3.204400     -0.3417000      -1.569800    
 H   -5.058800      0.7154000      -2.509200    
 H    5.354000       1.739400     -0.9511000    
 H    4.979600       1.109700      -2.559600    
 H    3.767000       2.034400      -1.692600    
 H    5.912300     -0.9111000     -0.2684000    
 H    5.588800      -1.119000      -1.992800    
 H    4.702600      -2.087300     -0.8371000    


%chk=000101602-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101602

0 1
O -4.989112 0.564373 -1.564392
C -0.671820 -0.643674 0.040534
C -1.704027 0.465318 0.497706
C 0.637761 -0.432998 0.919593
C -3.226121 0.268506 0.108001
C -1.262138 -2.049491 0.358121
C -1.141254 1.876985 0.186936
C -3.653231 -1.207377 0.373708
C 1.196753 0.981418 0.756214
C -2.680851 -2.250123 -0.212004
C 0.189816 2.107224 0.945604
C 1.722308 -1.520402 0.692939
C -0.297917 -0.552506 -1.466708
C -3.526669 0.647042 -1.365080
C -4.097640 1.183039 1.018304
C 3.102205 -1.079927 1.228988
C 3.615679 0.190334 0.496754
C 2.515179 1.242239 0.531609
C 4.161449 -0.084537 -0.951608
C 4.521639 1.232553 -1.681824
C 5.393699 -1.022439 -0.930390
H -1.720880 0.378149 1.610482
H 0.292407 -0.521866 1.977348
H -1.306952 -2.178123 1.461822
H -0.581741 -2.833735 -0.025905
H -1.864596 2.656873 0.489576
H -0.975147 1.999130 -0.900505
H -4.674495 -1.351930 -0.024787
H -3.708947 -1.359454 1.472132
H -2.662030 -2.187986 -1.318480
H -3.040408 -3.269098 0.031908
H -0.054102 2.178471 2.028963
H 0.640561 3.076321 0.657780
H 1.817570 -1.744702 -0.386112
H 1.413136 -2.461960 1.183726
H 0.279560 -1.441565 -1.779054
H -1.184701 -0.505890 -2.118673
H 0.323832 0.335617 -1.677895
H -3.024771 -0.045790 -2.067831
H -3.171928 1.679234 -1.565625
H -3.929529 2.256861 0.816681
H -5.166961 0.980498 0.842338
H -3.870596 0.993163 2.084372
H 3.015707 -0.849308 2.309969
H 3.826652 -1.910418 1.137937
H 4.480504 0.595428 1.069584
H 2.826188 2.292215 0.426135
H 3.352925 -0.579709 -1.529387
H -5.201808 0.807721 -2.499203
H 5.287002 1.799930 -1.115932
H 4.934634 1.022132 -2.686180
H 3.637891 1.882192 -1.805976
H 6.211990 -0.576322 -0.331491
H 5.777766 -1.184514 -1.954945
H 5.162661 -2.013622 -0.501476


