%chk=000100549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100549

0 1
 O    4.581400      0.2982000      6.1500002E-02
 O    6.840400      0.6223000     -1.5200000E-02
 O    10.34950      1.5300000E-02 -0.1732000    
 C   -4.194600     -0.4387000      0.1077000    
 C   -5.488100      0.3809000      0.1698000    
 C   -2.927000      0.4184000      0.1495000    
 C   -6.790800     -0.4246000      0.1045000    
 C   -1.667700     -0.4503000      0.1091000    
 C   -8.046700      0.4503000      0.1117000    
 C  -0.3674000      0.3604000      0.1356000    
 C   -9.344700     -0.3517000     -3.2299999E-02
 C   0.8915000     -0.5115000      0.1701000    
 C   -10.63070      0.4767000     -0.1243000    
 C    2.188800      0.2980000      0.1265000    
 C   -11.89910     -0.3731000     -0.2133000    
 C    3.446500     -0.5588000      7.4600004E-02
 C   -13.14400      0.4953000     -0.3100000    
 C    5.804400     -0.2569000     -6.2000002E-03
 C    6.267900      -1.550300     -7.1000002E-02
 C    7.977800     -0.1179000     -8.6300001E-02
 C    7.679400      -1.460100     -0.1231000    
 C    9.222100      0.5724000     -0.1100000    
 C    9.251400       2.105700     -5.5799998E-02
 H   -4.183900      -1.146300      0.9459000    
 H   -4.196700      -1.037300     -0.8116000    
 H   -5.481700       1.102200     -0.6574000    
 H   -5.487000      0.9717000       1.094600    
 H   -2.924200       1.026200       1.062200    
 H   -2.923800       1.110800     -0.7007000    
 H   -6.782800      -1.035400     -0.8065000    
 H   -6.827300      -1.120200      0.9517000    
 H   -1.677600      -1.136900      0.9648000    
 H   -1.682400      -1.071400     -0.7952000    
 H   -7.985100       1.173100     -0.7112000    
 H   -8.081900       1.031000       1.041400    
 H  -0.3693000       1.018600       1.013200    
 H  -0.3349000       1.010100     -0.7476000    
 H   -9.273600     -0.9804000     -0.9290000    
 H   -9.426200      -1.038000      0.8203000    
 H   0.8805000      -1.129900       1.075800    
 H   0.8714000      -1.199600     -0.6840000    
 H   -10.69490       1.130300      0.7546000    
 H   -10.56860       1.132500      -1.001500    
 H    2.179500      0.9650000     -0.7452000    
 H    2.239000      0.9600000       1.000400    
 H   -11.97580      -1.018600      0.6692000    
 H   -11.84570      -1.027500      -1.091000    
 H    3.488600      -1.212600      0.9541000    
 H    3.437400      -1.177200     -0.8310000    
 H   -13.24170       1.140400      0.5691000    
 H   -13.11110       1.130600      -1.200900    
 H   -14.03910     -0.1314000     -0.3726000    
 H    5.671400      -2.451300     -7.9899997E-02
 H    8.386500      -2.275600     -0.1802000    
 H    8.787900       2.447500      0.8734000    
 H    8.715800       2.512200     -0.9178000    
 H    10.28620       2.459100     -8.4799998E-02


%chk=000100549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100549

0 1
O 4.633813 0.412010 0.037553
O 6.924143 0.691692 0.060825
O 10.482912 -0.143462 0.077788
C -4.243118 -0.455103 -0.012267
C -5.525601 0.407064 -0.014355
C -2.944021 0.381754 -0.007831
C -6.825927 -0.428004 -0.017200
C -1.661177 -0.479851 -0.005516
C -8.107605 0.435369 -0.019235
C -0.364224 0.359921 0.001750
C -9.408887 -0.398457 -0.021170
C 0.918514 -0.502100 0.003390
C -10.690219 0.465572 -0.022696
C 2.206884 0.354077 0.015992
C -11.992059 -0.368220 -0.024944
C 3.463676 -0.512589 0.015795
C -13.266206 0.504018 -0.026273
C 5.855280 -0.193442 0.038073
C 6.297580 -1.520820 0.021338
C 8.111982 -0.117571 0.058301
C 7.732289 -1.459145 0.034077
C 9.416209 0.549014 0.080281
C 9.430403 2.072198 0.106585
H -4.252237 -1.122555 0.874898
H -4.247839 -1.120389 -0.901093
H -5.517173 1.074062 -0.901874
H -5.520533 1.073142 0.873872
H -2.940358 1.046855 0.881010
H -2.935727 1.049298 -0.894799
H -6.831727 -1.094167 -0.905410
H -6.835014 -1.094851 0.870453
H -1.671066 -1.148232 0.880872
H -1.664505 -1.143535 -0.895468
H -8.098838 1.101931 -0.907110
H -8.101573 1.102039 0.868564
H -0.361197 1.022369 0.892034
H -0.355012 1.028533 -0.883859
H -9.415642 -1.064888 -0.909244
H -9.417967 -1.065194 0.866642
H 0.905462 -1.171962 0.888397
H 0.915048 -1.161314 -0.889675
H -10.685211 1.131874 0.865466
H -10.682588 1.132604 -0.910293
H 2.227467 1.018969 -0.868159
H 2.218844 1.004954 0.910683
H -11.998749 -1.034426 0.861988
H -11.996255 -1.033511 -0.912585
H 3.512068 -1.163245 0.912150
H 3.527573 -1.141027 -0.895303
H -13.300039 1.156353 0.866850
H -13.297422 1.157431 -0.918705
H -14.182632 -0.114558 -0.027988
H 5.679175 -2.414383 0.002536
H 8.430783 -2.293238 0.026973
H 8.899774 2.452151 0.998803
H 8.904230 2.483561 -0.774181
H 10.473439 2.423121 0.115789


