%chk=000072774.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072774

0 1
 O    1.645300       1.978800     -0.3631000    
 O   -2.946200      0.9847000     -0.1541000    
 O   -2.271500      -3.004300      0.3425000    
 O   -5.309700       1.939400     -0.2171000    
 O   -6.331900     -0.1011000      6.4000003E-02
 C    2.959200       1.715800      0.1823000    
 C    3.424000      0.2714000      1.2100000E-02
 C    2.452500     -0.7450000     -0.1069000    
 C    1.033000     -0.3569000     -8.2400002E-02
 C   0.6999000      0.9995000     -0.2179000    
 C    3.864000       2.712600     -0.5664000    
 C    2.938000       2.089800       1.674600    
 C    4.788800     -7.0900001E-02  3.0300001E-02
 C  -2.5400000E-02  -1.272900      6.3400000E-02
 C  -0.6309000       1.430600     -0.2564000    
 C    2.889400      -2.075100     -0.2519000    
 C   -1.358200     -0.8413000      4.4300001E-02
 C   -1.660700      0.5064000     -0.1208000    
 C    5.197000      -1.395400     -0.1054000    
 C    4.247600      -2.396700     -0.2525000    
 C   -2.463300      -1.805400      0.1936000    
 C   -3.829200      -1.244400      0.1524000    
 C   -3.973700      7.5700000E-02 -1.4100000E-02
 C   -5.338200      0.6048000     -5.0299998E-02
 H    4.875600       2.764300     -0.1518000    
 H    3.939700       2.447800      -1.627900    
 H    3.440800       3.724100     -0.5297000    
 H    3.933500       2.018400       2.126600    
 H    2.566000       3.111400       1.815200    
 H    2.266300       1.434900       2.241900    
 H    5.554500      0.6883000      0.1599000    
 H   0.1780000      -2.331900      0.1973000    
 H  -0.8581000       2.486500     -0.3820000    
 H    2.184100      -2.892700     -0.3739000    
 H    6.254200      -1.643200     -9.4200000E-02
 H    4.559900      -3.430900     -0.3639000    
 H   -4.654500      -1.938200      0.2604000    
 H   -6.209900       2.328400     -0.2436000    


%chk=000072774-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072774

0 1
O 1.681602 1.990461 -0.426331
O -2.973901 0.969415 -0.224056
O -2.257180 -3.087996 0.584558
O -5.369253 2.006212 -0.400728
O -6.432644 -0.023839 0.005161
C 3.039219 1.741285 0.210091
C 3.470173 0.292202 -0.038333
C 2.478180 -0.734925 -0.069015
C 1.049079 -0.355577 -0.005093
C 0.703612 1.022672 -0.229894
C 3.926389 2.794456 -0.468358
C 2.888496 2.011511 1.726323
C 4.836351 -0.052387 -0.148206
C -0.003038 -1.269906 0.190711
C -0.634845 1.446749 -0.315720
C 2.892019 -2.086107 -0.215547
C -1.361409 -0.875613 0.133353
C -1.649367 0.492192 -0.138122
C 5.235571 -1.400443 -0.276857
C 4.256726 -2.420450 -0.307620
C -2.458460 -1.852244 0.339679
C -3.809227 -1.276180 0.234459
C -4.009664 0.057463 -0.031272
C -5.379968 0.640810 -0.134122
H 4.916410 2.851137 0.015222
H 4.061517 2.566786 -1.538622
H 3.445312 3.782725 -0.377639
H 3.862805 1.884089 2.230345
H 2.531043 3.042376 1.894995
H 2.173808 1.307852 2.187970
H 5.599758 0.732009 -0.129031
H 0.186287 -2.328569 0.395335
H -0.875216 2.495020 -0.504342
H 2.142816 -2.881649 -0.277264
H 6.298453 -1.651997 -0.357440
H 4.555693 -3.468471 -0.415349
H -4.678196 -1.924185 0.372409
H -6.309053 2.330416 -0.457150


