%chk=000105550.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105550

0 1
 O   0.8581000      -1.121400     -0.7242000    
 O   0.9001000      0.9880000      0.2919000    
 O   -4.602400      -1.279800      0.2417000    
 C    5.699700      0.7392000      0.1208000    
 C    5.162700     -0.6766000      0.3698000    
 C    4.959200       1.407100      -1.045700    
 C    2.917200     -4.1000000E-03 -0.5740000    
 C    3.650900     -0.6769000      0.5864000    
 C    3.447700       1.407000     -0.8275000    
 C    7.203900      0.7068000     -0.1433000    
 C    7.986100      0.4785000       1.145500    
 C    1.452100      4.9899999E-02 -0.2678000    
 C    9.484200      0.4726000      0.8865000    
 C  -0.5168000      -1.161000     -0.4807000    
 C  -0.9988000      -1.702100      0.7112000    
 C   -1.407700     -0.6598000      -1.429800    
 C   -6.613100     -3.5999999E-03  0.5327000    
 C   -7.502800       1.101400     -3.2699998E-02
 C   -2.371700      -1.742000      0.9540000    
 C   -2.780700     -0.6997000      -1.187100    
 C   -3.262700      -1.240800      4.9000001E-03
 C   -5.396200     -0.2509000     -0.3475000    
 C   -8.699500       1.372600      0.8785000    
 C   -9.569400       2.495400      0.3361000    
 H    5.509300       1.344600       1.018000    
 H    5.402400      -1.324200     -0.4833000    
 H    5.635400      -1.124000       1.250400    
 H    5.303800       2.441100      -1.166800    
 H    5.189600      0.8836000      -1.982500    
 H    3.062500     -0.5872000      -1.493300    
 H    3.418100     -0.1631000       1.528500    
 H    3.300300      -1.709500      0.7053000    
 H    2.950700       1.843700      -1.702500    
 H    3.214300       2.064500      2.0400001E-02
 H    7.521200       1.665500     -0.5733000    
 H    7.450400     -6.5499999E-02 -0.8824000    
 H    7.713700     -0.4774000       1.604000    
 H    7.753200       1.265700       1.872000    
 H    10.02980      0.3093000       1.821200    
 H    9.759000     -0.3253000      0.1893000    
 H    9.813900       1.427200      0.4641000    
 H  -0.3095000      -2.094300       1.453900    
 H   -1.037800     -0.2433000      -2.362700    
 H   -6.279700      0.2584000       1.544800    
 H   -7.183400     -0.9350000      0.6369000    
 H   -7.856100      0.8157000      -1.030800    
 H   -6.916600       2.021200     -0.1487000    
 H   -2.741400      -2.164500       1.884300    
 H   -3.440500     -0.3246000      -1.963700    
 H   -4.839300      0.6919000     -0.4253000    
 H   -5.712600     -0.5719000      -1.346700    
 H   -8.350500       1.642900       1.881900    
 H   -9.304100      0.4638000      0.9791000    
 H   -9.001800       3.428000      0.2561000    
 H   -9.960500       2.244600     -0.6550000    
 H   -10.41980       2.671500       1.002300    


%chk=000105550-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105550

0 1
O 0.873688 -0.590004 -0.352209
O 1.373709 1.694302 -0.640187
O -4.740089 -0.844313 0.148446
C 6.138923 0.564406 -0.179041
C 5.296267 -0.106551 0.936228
C 5.497100 0.278844 -1.561712
C 3.186139 0.022101 -0.508780
C 3.812944 0.323714 0.887908
C 4.013949 0.705996 -1.628288
C 7.622286 0.116724 -0.155542
C 8.407544 0.527162 1.112066
C 1.745575 0.505219 -0.524161
C 9.900952 0.141477 1.034791
C -0.552604 -0.501325 -0.245315
C -1.177014 -1.759158 -0.067452
C -1.319714 0.682937 -0.300456
C -7.045270 -0.124082 0.289388
C -8.052284 1.049246 0.261425
C -2.572713 -1.838343 0.059252
C -2.726226 0.598188 -0.171286
C -3.356896 -0.656812 0.009072
C -5.602762 0.352285 0.109443
C -9.514609 0.584224 0.448584
C -10.523427 1.752397 0.415570
H 6.107613 1.664814 -0.011850
H 5.367184 -1.209621 0.823269
H 5.708898 0.139465 1.933001
H 6.067982 0.802973 -2.353641
H 5.580059 -0.807790 -1.777515
H 3.184793 -1.073561 -0.660919
H 3.732461 1.411707 1.082921
H 3.237820 -0.196651 1.677404
H 3.589038 0.452211 -2.618531
H 3.926258 1.803489 -1.511987
H 8.136676 0.545050 -1.041865
H 7.669983 -0.987329 -0.274386
H 7.956431 0.054049 2.006314
H 8.314997 1.623102 1.257752
H 10.445531 0.441038 1.949137
H 10.021562 -0.951699 0.912284
H 10.392628 0.630261 0.172349
H -0.555606 -2.658707 -0.029764
H -0.834790 1.648962 -0.441726
H -7.125700 -0.668534 1.249769
H -7.286222 -0.848323 -0.512259
H -7.964943 1.594377 -0.701780
H -7.798792 1.779403 1.058458
H -3.075823 -2.799580 0.198365
H -3.309394 1.522371 -0.214935
H -5.309282 1.047897 0.923868
H -5.473408 0.871599 -0.863642
H -9.603311 0.042761 1.412210
H -9.767452 -0.148320 -0.344565
H -10.309237 2.484811 1.216757
H -10.477082 2.289439 -0.550634
H -11.560240 1.394903 0.553601


