%chk=000108902.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108902

0 1
 O    3.691700      0.1105000      0.3910000    
 O    4.034700      -1.230300      -1.457800    
 C  -0.3768000      -1.774000      0.8536000    
 C   -1.472400      -1.740300     -0.2147000    
 C    1.004100      -1.977700      0.2281000    
 C   -2.855900      -1.568700      0.4164000    
 C    2.094600      -2.045200       1.297300    
 C   -3.995100      -1.559400     -0.6068000    
 C    1.601800       2.093600      9.7400002E-02
 C   0.2666000       2.533700     -0.5069000    
 C    3.474100      -2.214700      0.6725000    
 C    2.617500       1.755000     -0.9927000    
 C  -0.7831000       2.908200      0.5434000    
 C   -5.379600      -1.412800      2.5699999E-02
 C    3.936300       1.276000     -0.4027000    
 C   -2.092300       3.418000     -6.0400002E-02
 C    3.774900      -1.078800     -0.2710000    
 C   -6.467800      -1.336600      -1.034400    
 C   -3.073100       3.843300       1.022100    
 H  -0.5808000      -2.585400       1.562800    
 H  -0.3890000     -0.8359000       1.422000    
 H   -1.283200     -0.9161000     -0.9129000    
 H   -1.449400      -2.669900     -0.7961000    
 H    1.009300      -2.905500     -0.3572000    
 H    1.191300      -1.156000     -0.4716000    
 H   -3.029100      -2.380600       1.133700    
 H   -2.879100     -0.6318000      0.9871000    
 H    1.902000      -2.891800       1.967000    
 H    2.063300      -1.140200       1.915800    
 H   -3.829600     -0.7356000      -1.312500    
 H   -3.962100      -2.487300      -1.191100    
 H    1.427800       1.226500      0.7444000    
 H    1.998400       2.894700      0.7329000    
 H   0.4370000       3.395500      -1.164200    
 H  -0.1310000       1.728300      -1.137000    
 H    4.253300      -2.248300       1.441100    
 H    3.525100      -3.155100      0.1120000    
 H    2.801300       2.637200      -1.616700    
 H    2.199000      0.9762000      -1.641100    
 H  -0.9890000       2.033800       1.173300    
 H  -0.3662000       3.680800       1.201400    
 H   -5.412500     -0.5056000      0.6401000    
 H   -5.576000      -2.262500      0.6895000    
 H    4.678000       1.085200      -1.186700    
 H    4.359300       2.039400      0.2591000    
 H   -2.546500       2.632700     -0.6757000    
 H   -1.891100       4.271400     -0.7180000    
 H   -6.315900     -0.4746000      -1.691900    
 H   -7.449900      -1.234400     -0.5621000    
 H   -6.479300      -2.241400      -1.650400    
 H   -3.316900       3.004100       1.681300    
 H   -4.003300       4.201900      0.5703000    
 H   -2.658200       4.651600       1.632600    


%chk=000108902-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108902

0 1
O 3.777947 0.103221 0.596903
O 4.413069 -0.863434 -1.429262
C -0.279611 -1.965587 0.873552
C -1.450159 -1.659371 -0.087793
C 1.084889 -2.079215 0.157888
C -2.806281 -1.489495 0.633350
C 2.261587 -2.289443 1.137506
C -3.966388 -1.121467 -0.318480
C 1.514299 2.094877 0.150969
C 0.252747 2.470234 -0.658601
C 3.646676 -2.296761 0.440535
C 2.775118 1.965317 -0.732512
C -1.023420 2.564407 0.207817
C -5.318959 -0.935708 0.406368
C 4.016149 1.463231 0.019447
C -2.290512 2.914198 -0.605939
C 3.985443 -0.986687 -0.257808
C -6.464883 -0.534849 -0.547344
C -3.564465 2.991449 0.263017
H -0.489807 -2.904804 1.426803
H -0.219004 -1.162159 1.638126
H -1.220724 -0.730885 -0.652910
H -1.531759 -2.468894 -0.842877
H 1.055538 -2.910632 -0.576330
H 1.257517 -1.153047 -0.428630
H -3.056320 -2.426182 1.174396
H -2.708237 -0.700766 1.409624
H 2.131947 -3.251852 1.671535
H 2.252447 -1.490338 1.902013
H -3.712207 -0.185232 -0.859323
H -4.072300 -1.908291 -1.094691
H 1.339988 1.135680 0.677652
H 1.688724 2.856481 0.939593
H 0.417733 3.438123 -1.177292
H 0.095888 1.714343 -1.457080
H 4.435937 -2.493967 1.192494
H 3.704562 -3.092595 -0.322346
H 3.026290 2.952652 -1.173032
H 2.577815 1.284956 -1.583341
H -1.182323 1.597110 0.730306
H -0.876200 3.325616 1.002474
H -5.205760 -0.161776 1.193532
H -5.583196 -1.876021 0.932193
H 4.893489 1.410821 -0.649569
H 4.241293 2.081603 0.904686
H -2.430201 2.154751 -1.402921
H -2.134933 3.882434 -1.124362
H -6.237647 0.420754 -1.057265
H -7.420081 -0.409483 -0.004835
H -6.618312 -1.302950 -1.329016
H -3.766345 2.021551 0.756559
H -4.452822 3.253938 -0.340847
H -3.457036 3.755245 1.056367


