%chk=000096904.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096904

0 1
 O    6.820100      -1.309300     -7.6800004E-02
 O    5.336200     -0.8674000      -1.737200    
 C   -1.240400      0.3766000      0.2154000    
 C    1.094600      0.9544000      0.7491000    
 C    2.438100      0.5315000       1.241200    
 C   -1.433600       1.728600     -0.1714000    
 C   -2.342700     -0.5452000      0.1224000    
 C   5.3300001E-02  2.5300000E-02  0.6756000    
 C    3.343200      4.1000001E-02  9.6000001E-02
 C   -3.596100     -7.9599999E-02 -0.3536000    
 C   0.8790000       2.268700      0.3646000    
 C  -0.3777000       2.653100     -9.2500001E-02
 C   -2.682500       2.149300     -0.6352000    
 C    4.729900     -0.3906000      0.5738000    
 C   -3.747300       1.258900     -0.7248000    
 C   -2.267200      -1.914800      0.4802000    
 C   -4.691900     -0.9537000     -0.4558000    
 C   -3.364800      -2.773500      0.3734000    
 C   -4.577600      -2.292700     -9.5100001E-02
 C    5.627500     -0.8608000     -0.5493000    
 H    2.328700     -0.2616000       1.991900    
 H    2.922900       1.366600       1.763200    
 H   0.2683000     -0.9949000      0.9850000    
 H    2.861100     -0.7989000     -0.4214000    
 H    3.450500      0.8362000     -0.6537000    
 H    1.677600       3.003900      0.4132000    
 H  -0.5268000       3.689600     -0.3899000    
 H   -2.844500       3.183100     -0.9350000    
 H    5.225900      0.4509000       1.070100    
 H    4.626400      -1.212800       1.290900    
 H   -4.703000       1.629100      -1.091300    
 H   -1.343200      -2.348500      0.8537000    
 H   -5.652900     -0.5955000     -0.8210000    
 H   -3.265700      -3.817100      0.6577000    
 H   -5.433100      -2.955600     -0.1799000    
 H    7.403600      -1.625400     -0.7991000    


%chk=000096904-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096904

0 1
O 7.025816 -1.168633 -0.033688
O 5.749742 -0.212326 -1.720912
C -1.296499 0.330438 0.203024
C 1.090027 0.772091 0.727970
C 2.447426 0.287321 1.215907
C -1.433808 1.690331 -0.256943
C -2.462684 -0.557734 0.156379
C -0.019679 -0.088686 0.688802
C 3.456833 0.077324 0.055141
C -3.715176 -0.048545 -0.350777
C 0.931935 2.117664 0.269980
C -0.302499 2.562504 -0.209718
C -2.706929 2.159180 -0.756086
C 4.823720 -0.408251 0.573540
C -3.804824 1.322435 -0.802221
C -2.420975 -1.918176 0.592766
C -4.859369 -0.904201 -0.402434
C -3.554602 -2.740621 0.534259
C -4.787208 -2.232424 0.032328
C 5.856205 -0.562602 -0.525962
H 2.329132 -0.663887 1.770914
H 2.875294 1.021452 1.929330
H 0.114299 -1.115633 1.046037
H 3.046336 -0.654172 -0.665511
H 3.586863 1.019723 -0.507907
H 1.788206 2.802481 0.302962
H -0.420394 3.596129 -0.556675
H -2.781645 3.197844 -1.099354
H 5.236053 0.301041 1.319875
H 4.735805 -1.376775 1.102194
H -4.767419 1.683916 -1.182946
H -1.489114 -2.338467 0.983332
H -5.801753 -0.499597 -0.790991
H -3.492706 -3.779725 0.875903
H -5.669945 -2.879551 -0.011496
H 7.689437 -1.242967 -0.772622


