%chk=000173530.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173530

0 1
 O   0.2635000       1.020500      0.2268000    
 O   -1.464300       2.168200     -0.7749000    
 C    2.554100       1.759300      0.4395000    
 C    1.160100       2.094400     -7.7100001E-02
 C    3.107800      0.5251000     -0.2151000    
 C   -1.829100     -4.9000001E-03  0.1981000    
 C   -3.812900      -1.457300     -0.4759000    
 C    4.016600      -1.811500     -0.1979000    
 C    3.455900     -0.5832000      0.4554000    
 C   -2.860900     -0.3025000     -0.6133000    
 C   -1.023200       1.193400     -0.1827000    
 C   -1.460600     -0.7428000       1.450900    
 C   -5.019700      -1.082700      0.3696000    
 C    2.912900      -2.776100     -0.6033000    
 H    3.230100       2.598500      0.2412000    
 H    2.511200       1.622000       1.526900    
 H   0.8034000       3.009500      0.4099000    
 H    1.182700       2.254400      -1.162100    
 H    3.242600      0.5596000      -1.293500    
 H   -3.310200      -2.328500     -4.1800000E-02
 H   -4.142700      -1.763700      -1.475500    
 H    4.603500      -1.538500      -1.083000    
 H    4.707900      -2.302300      0.4964000    
 H   -3.050500      0.3227000      -1.484900    
 H    3.317300     -0.6240000       1.532800    
 H  -0.5424000      -1.319300       1.298200    
 H   -2.240900      -1.435200       1.778500    
 H   -1.295300     -3.8100000E-02   2.273000    
 H   -5.563500     -0.2391000     -6.9100000E-02
 H   -5.709900      -1.929800      0.4373000    
 H   -4.725700     -0.8058000       1.387400    
 H    3.344200      -3.672000      -1.061300    
 H    2.232300      -2.320000      -1.330200    
 H    2.323400      -3.090600      0.2646000    


%chk=000173530-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173530

0 1
O 0.218558 1.007871 0.311640
O -1.427878 2.030208 -0.981191
C 2.515054 1.784021 0.538717
C 1.122001 2.150196 0.007514
C 3.158835 0.630235 -0.203122
C -1.859414 -0.154458 0.082455
C -4.165326 -1.283565 -0.252256
C 4.208629 -1.691282 -0.363924
C 3.578559 -0.526169 0.370910
C -3.128387 -0.202859 -0.428957
C -1.057215 1.062223 -0.265998
C -1.205456 -1.212858 0.947640
C -5.492500 -0.719405 0.324377
C 3.386946 -2.997829 -0.209335
H 3.142639 2.695305 0.439731
H 2.446329 1.554578 1.618300
H 0.718251 3.054502 0.499664
H 1.120818 2.323914 -1.084525
H 3.280379 0.761439 -1.290912
H -3.796587 -2.101625 0.391725
H -4.379239 -1.733057 -1.244950
H 4.316889 -1.442090 -1.437043
H 5.232285 -1.868574 0.026972
H -3.437765 0.659343 -1.040657
H 3.439388 -0.658995 1.456639
H -0.276991 -1.584179 0.477044
H -1.876580 -2.068990 1.124052
H -0.907884 -0.792663 1.925302
H -5.892325 0.086126 -0.318443
H -6.257871 -1.513464 0.393661
H -5.336392 -0.299937 1.334079
H 3.878544 -3.840242 -0.729949
H 2.372807 -2.874085 -0.630579
H 3.278599 -3.273935 0.856321


