%chk=000125936.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125936

0 1
 O    4.466200       3.261300     -0.1033000    
 O   0.2410000      -2.722100     -0.9156000    
 O  -0.8721000     -0.7385000     -0.8626000    
 C    3.594500     -0.4213000      5.4299999E-02
 C    4.354300      0.8876000      0.2873000    
 C    4.321000      -1.651400      0.6083000    
 C   -3.413400      -1.842600      0.7585000    
 C    3.655800       2.107700     -0.3296000    
 C   -4.728400      -1.266000       1.296000    
 C    3.653800      -2.999300      0.3251000    
 C   -3.389800      -2.190400     -0.7354000    
 C   -5.118900      6.6799998E-02  0.6476000    
 C   -2.088200      -2.816700      -1.235400    
 C    4.386000      -4.181700      0.9401000    
 C    2.311900       2.377700      0.2857000    
 C   -4.146300       1.205800      0.8041000    
 C    1.173700       2.446900     -0.4212000    
 C   -3.557600       1.915800     -0.1709000    
 C   -2.597200       3.041700      8.6800002E-02
 C  -0.8777000      -1.955300     -0.9734000    
 C  -0.1152000       2.702400      0.1803000    
 C   -1.253400       2.771600     -0.5266000    
 H    3.437300     -0.5581000      -1.022700    
 H    2.601400     -0.3688000      0.5158000    
 H    4.502400       1.046200       1.363700    
 H    5.363600      0.8051000     -0.1365000    
 H    5.338000      -1.675300      0.1962000    
 H    4.431000      -1.531500       1.693700    
 H   -3.198700      -2.759200       1.323400    
 H   -2.601000      -1.148700      0.9997000    
 H    3.570600       1.976300      -1.414800    
 H   -4.635700      -1.128300       2.380400    
 H   -5.535100      -1.991400       1.136500    
 H    2.631500      -2.981500      0.7197000    
 H    3.577300      -3.147200     -0.7584000    
 H   -4.215300      -2.878200     -0.9552000    
 H   -3.576500      -1.281200      -1.318800    
 H   -5.336100     -9.3999997E-02 -0.4152000    
 H   -6.068300      0.3893000       1.094600    
 H   -1.948800      -3.779400     -0.7296000    
 H   -2.148700      -3.000700      -2.313200    
 H    5.405600      -4.255100      0.5487000    
 H    3.863300      -5.115000      0.7089000    
 H    4.442400      -4.082900       2.028700    
 H    2.288500       2.527600       1.363400    
 H   -3.913900       1.463900       1.836100    
 H    5.326800       3.102900     -0.5275000    
 H    1.201900       2.300200      -1.497900    
 H   -3.786000       1.679600      -1.207600    
 H   -3.005800       3.955300     -0.3611000    
 H   -2.503300       3.238100       1.161800    
 H  -0.1448000       2.839100       1.258300    
 H   -1.226300       2.642800      -1.607000    
 H    1.044700      -2.176600     -0.7804000    


%chk=000125936-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125936

0 1
O 4.356432 3.085417 -0.197027
O 0.006700 -0.822087 -0.199772
O -1.069117 -0.271256 -2.183694
C 3.570998 -0.712703 0.038739
C 4.270735 0.643175 0.274994
C 4.360617 -1.909541 0.614802
C -3.173218 -1.678610 0.865290
C 3.551329 1.846580 -0.384223
C -4.607597 -1.303574 1.310463
C 3.653000 -3.264314 0.382446
C -3.078130 -2.175465 -0.595684
C -5.194565 -0.049772 0.592120
C -1.609683 -2.403051 -1.065128
C 4.426643 -4.458028 0.982380
C 2.207962 2.156835 0.227590
C -4.325186 1.177970 0.773986
C 1.041074 2.277200 -0.477508
C -3.725740 1.863169 -0.233636
C -2.778163 3.041848 -0.048574
C -0.887492 -1.079566 -1.241328
C -0.253820 2.635910 0.108533
C -1.410249 2.714466 -0.615917
H 3.419618 -0.867351 -1.050657
H 2.561324 -0.698173 0.493031
H 4.367972 0.839801 1.361594
H 5.303968 0.588298 -0.133947
H 5.373146 -1.941912 0.159745
H 4.513766 -1.759417 1.704178
H -2.778871 -2.469241 1.535629
H -2.513423 -0.800267 0.999532
H 3.431469 1.644476 -1.472055
H -4.601688 -1.111914 2.402863
H -5.290714 -2.162177 1.146188
H 2.634803 -3.220090 0.819161
H 3.515570 -3.419703 -0.707223
H -3.629419 -3.131003 -0.697950
H -3.554390 -1.454182 -1.286071
H -5.327419 -0.253747 -0.487596
H -6.207405 0.138088 1.004582
H -1.067102 -3.029583 -0.337191
H -1.614226 -2.912103 -2.045769
H 5.439484 -4.536391 0.543477
H 3.903896 -5.414452 0.796852
H 4.544374 -4.344412 2.076771
H 2.219414 2.345527 1.311746
H -4.147351 1.495933 1.814760
H 5.303498 2.871829 -0.405237
H 1.059935 2.125937 -1.568446
H -3.883534 1.534377 -1.272787
H -3.188113 3.928403 -0.578804
H -2.702203 3.307498 1.022484
H -0.274786 2.844971 1.188810
H -1.376355 2.469571 -1.688254
H 0.414234 0.090105 -0.294469


