%chk=000102006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102006

0 1
 O   0.6758000      -2.127600      0.9814000    
 O   -4.275700       1.558800      0.8729000    
 O   -5.654600     -0.5979000      5.6499999E-02
 O    6.902600      -1.375200      -1.115800    
 O   -5.979600      -2.490100      -1.228400    
 C  -0.1107000       1.591000     -0.4466000    
 C   -1.214800      0.6846000      0.1413000    
 C    1.269600       1.321200      0.1657000    
 C    1.667000     -0.1623000     -0.1031000    
 C   -2.436000       1.259500     -0.6085000    
 C    3.092000     -0.5299000      0.4556000    
 C  -0.7036000       2.992000     -0.3299000    
 C  -0.8751000     -0.7642000     -0.2105000    
 C   -2.202800       2.783700     -0.6052000    
 C    2.328700       2.263700     -0.4185000    
 C   0.5136000      -1.105200      0.3176000    
 C   -1.382900      0.8120000       1.678200    
 C    4.104600      0.5317000     -5.9000002E-03
 C    3.702700       1.977100      0.1705000    
 C    3.503400      -1.921300     -0.1114000    
 C    3.123900     -0.5671000       2.000400    
 C   -3.759000      0.8841000     -1.6600000E-02
 C    4.985600      -2.228300      3.5700001E-02
 C    5.312400      0.2482000     -0.5223000    
 C    5.810100      -1.143400     -0.6022000    
 C   -4.413300     -0.3624000     -0.5735000    
 C   -6.346700      -1.704800     -0.3649000    
 C   -7.637000      -1.827700      0.3875000    
 H  -2.6900001E-02   1.382100      -1.526500    
 H    1.220600       1.502900       1.244900    
 H    1.718900     -0.2831000      -1.197600    
 H   -2.429200      0.9285000      -1.656300    
 H  -0.2614000       3.687700      -1.050200    
 H  -0.5514000       3.410400      0.6711000    
 H  -0.8735000     -0.9354000      -1.293000    
 H   -1.594800      -1.458800      0.2348000    
 H   -2.794300       3.326000      0.1397000    
 H   -2.471400       3.200900      -1.583000    
 H    2.066700       3.306700     -0.2059000    
 H    2.365300       2.161100      -1.510800    
 H  -0.4761000      0.5306000       2.222100    
 H   -1.642700       1.828500       1.989400    
 H   -2.175200      0.1463000       2.039900    
 H    3.701400       2.218300       1.240600    
 H    4.430700       2.653400     -0.2944000    
 H    3.251800      -1.968900      -1.180300    
 H    2.941700      -2.727000      0.3727000    
 H    4.147500     -0.6767000       2.377800    
 H    2.719800      0.3472000       2.445900    
 H    2.548900      -1.406000       2.403100    
 H    5.207600      -3.175300     -0.4688000    
 H    5.279900      -2.324400       1.085500    
 H    5.994000       1.027200     -0.8471000    
 H   -3.751600      -1.215100     -0.4021000    
 H   -4.570700     -0.2129000      -1.647300    
 H   -8.257100     -0.9467000      0.2046000    
 H   -7.433200      -1.940400       1.455200    
 H   -8.177200      -2.712800      3.9900001E-02


%chk=000102006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102006

0 1
O 0.865695 -2.197578 1.058459
O -4.443821 1.003799 0.798569
O -5.470343 -1.390749 -0.115206
O 7.151440 -1.178024 -1.051082
O -6.909600 0.029284 -1.282555
C -0.150813 1.485478 -0.425203
C -1.210629 0.466501 0.104070
C 1.247820 1.296727 0.196766
C 1.750417 -0.171531 -0.071751
C -2.485449 0.994075 -0.674086
C 3.194182 -0.484081 0.482466
C -0.851760 2.858584 -0.288016
C -0.733646 -0.958950 -0.280801
C -2.358005 2.551885 -0.587453
C 2.266159 2.300590 -0.387291
C 0.664323 -1.204736 0.309819
C -1.423386 0.547596 1.637711
C 4.150382 0.629375 0.009454
C 3.685804 2.064712 0.177668
C 3.658194 -1.859058 -0.095966
C 3.219486 -0.510358 2.045832
C -3.812890 0.461290 -0.141884
C 5.171603 -2.114770 0.053666
C 5.399831 0.363589 -0.490468
C 5.997831 -0.986754 -0.556839
C -4.345058 -0.798838 -0.841679
C -6.733104 -0.814836 -0.379576
C -7.766120 -1.372205 0.567224
H -0.043566 1.281301 -1.516502
H 1.187621 1.465494 1.291376
H 1.818577 -0.243262 -1.184654
H -2.373530 0.661869 -1.727877
H -0.439214 3.608410 -0.984830
H -0.725971 3.260370 0.735036
H -0.678457 -1.046257 -1.386322
H -1.398201 -1.751867 0.105926
H -3.018026 2.929221 0.212059
H -2.689973 3.015883 -1.532498
H 1.946058 3.334506 -0.157988
H 2.284528 2.202122 -1.492389
H -0.490200 0.333091 2.187591
H -1.793248 1.537722 1.951507
H -2.169633 -0.196490 1.967864
H 3.673139 2.310608 1.261028
H 4.410174 2.753773 -0.292830
H 3.405868 -1.888709 -1.176480
H 3.088838 -2.665714 0.393677
H 4.250129 -0.664468 2.411421
H 2.857118 0.438154 2.481242
H 2.585957 -1.330003 2.419992
H 5.468123 -3.068670 -0.416927
H 5.447000 -2.193852 1.125339
H 6.046933 1.183285 -0.830307
H -3.568998 -1.581456 -0.890457
H -4.653368 -0.521674 -1.870640
H -7.674562 -0.854290 1.539107
H -7.598226 -2.446519 0.744032
H -8.775135 -1.199096 0.165555


