%chk=000016850.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016850

0 1
 O   2.0999999E-03  0.9599000       1.713500    
 O  -6.8000001E-03  -2.431100     -0.5474000    
 O   9.1000004E-03   3.094500       2.609000    
 O    4.697900      -2.819800     -0.2140000    
 O   -4.713400      -2.794500     -0.2137000    
 C   6.9999998E-04  0.3357000      0.3902000    
 C   4.3000001E-03   1.531900     -0.5063000    
 C    1.257100     -0.5027000      0.2617000    
 C   -1.260400     -0.4956000      0.2611000    
 C   7.4000000E-03   2.687400      0.2541000    
 C    1.175600      -1.816900     -0.2123000    
 C   -1.185800      -1.810500     -0.2124000    
 C   5.7000001E-03   2.330700       1.664700    
 C   4.9999999E-03   1.608500      -1.890300    
 C    2.525800      1.4200000E-02  0.5789000    
 C   -2.526300      2.8400000E-02  0.5775000    
 C   1.1500000E-02   3.951500     -0.3060000    
 C    2.328700      -2.591800     -0.3762000    
 C   -2.343200      -2.579300     -0.3758000    
 C   9.1000004E-03   2.873200      -2.485900    
 C    3.675900     -0.7614000      0.4221000    
 C   -3.680600     -0.7411000      0.4209000    
 C   1.2400000E-02   4.036900      -1.698500    
 C    3.577300      -2.063800     -5.7399999E-02
 C   -3.589000      -2.044500     -5.7599999E-02
 H   2.6000000E-03  0.7137000      -2.503500    
 H    2.633400       1.031400      0.9469000    
 H   -2.628400       1.046400      0.9449000    
 H   1.4000000E-02   4.847200      0.3046000    
 H    2.244500      -3.609800     -0.7496000    
 H   -2.271600      -3.598500     -0.7481000    
 H   9.7000003E-03   2.958600      -3.569300    
 H    4.645600     -0.3400000      0.6727000    
 H   -4.645000     -0.3081000      0.6729000    
 H   1.5600000E-02   5.010900      -2.180200    
 H    4.443400      -3.694300     -0.5553000    
 H   -5.484600      -2.266000      5.4400001E-02


%chk=000016850-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016850

0 1
O 0.019323 0.777609 1.764770
O -0.019461 -2.675674 0.146378
O 0.034669 2.830454 2.884872
O 4.807422 -2.845511 -0.201822
O -4.771248 -2.913829 -0.084920
C 0.001543 0.284755 0.273414
C 0.001664 1.610965 -0.485439
C 1.248916 -0.548889 0.074955
C -1.261419 -0.532914 0.102857
C 0.014930 2.697108 0.411037
C 1.191238 -1.962662 0.071956
C -1.224662 -1.950672 0.098573
C 0.024568 2.194138 1.814154
C -0.007602 1.831015 -1.874851
C 2.533638 0.048651 -0.025640
C -2.536212 0.082018 0.033467
C 0.019036 4.033404 -0.036922
C 2.347875 -2.764406 -0.020040
C -2.390607 -2.735903 0.034887
C -0.003564 3.168850 -2.339087
C 3.702974 -0.718134 -0.119632
C -3.719375 -0.671489 -0.032180
C 0.009506 4.261656 -1.431247
C 3.604556 -2.133358 -0.110537
C -3.638852 -2.090205 -0.025595
H -0.016184 0.992420 -2.578866
H 2.611290 1.140889 -0.018271
H -2.598127 1.175173 0.042805
H 0.030350 4.855988 0.685434
H 2.236969 -3.854162 -0.020276
H -2.325791 -3.825893 0.033174
H -0.009498 3.365952 -3.416828
H 4.690605 -0.255617 -0.189683
H -4.692829 -0.168611 -0.079201
H 0.013283 5.285899 -1.819086
H 4.651472 -3.821883 -0.166938
H -5.601099 -2.375834 -0.105374


