%chk=000018258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018258

0 1
 O  -0.9135000      0.3054000     -0.8134000    
 O   0.5876000      0.6451000       1.369900    
 O   0.7066000       1.696900      -1.666200    
 N   -5.052900     -0.2459000      5.7100002E-02
 C   -3.734400      0.3638000     -0.1645000    
 C   -4.008300       1.850700      7.1199998E-02
 C   -5.224400       1.895100      0.9900000    
 C   -5.593700      0.4410000       1.232600    
 C   -3.175000      0.1062000      -1.557900    
 C   -4.995100      -1.688400      0.2609000    
 C   -1.842500      0.8055000      -1.765100    
 C    1.261100      0.1881000      0.1793000    
 C   0.3519000      0.8395000     -0.8660000    
 C    2.702900      0.7014000      0.1567000    
 C    1.225100      -1.340700      0.1228000    
 C    3.287800      0.9676000      -1.059800    
 C    1.244700      -2.044100       1.305200    
 C    3.358200      0.8771000       1.353600    
 C    1.173900      -1.953400      -1.108200    
 C   0.5601000       2.057700       1.418800    
 C    4.601700       1.435500      -1.080600    
 C    1.211700      -3.437600       1.253700    
 C    4.672100       1.345100       1.332600    
 C    1.140800      -3.346900      -1.159500    
 C    5.293700       1.624300      0.1155000    
 C    1.159700      -4.089000      2.1500001E-02
 H   -3.029500      1.1600000E-02  0.6021000    
 H   -3.147900       2.344800      0.5356000    
 H   -4.240400       2.384800     -0.8582000    
 H   -5.006300       2.416700       1.927500    
 H   -6.044800       2.426200      0.4931000    
 H   -6.676700      0.3110000       1.323300    
 H   -5.121700      9.0400003E-02   2.159600    
 H   -3.025500     -0.9713000      -1.696500    
 H   -3.882700      0.4370000      -2.327800    
 H   -4.648900      -2.199100     -0.6432000    
 H   -4.334100      -1.967600       1.089300    
 H   -5.995300      -2.081500      0.4753000    
 H   -1.938600       1.891900      -1.662700    
 H   -1.475800      0.5841000      -2.774400    
 H    2.807300      0.7734000      -2.011800    
 H    1.294400      -1.558200       2.274100    
 H    2.904000      0.6480000       2.312200    
 H    1.171100      -1.395700      -2.039100    
 H   0.5816000       2.346000       2.475200    
 H  -0.3975000       2.420800       1.028300    
 H    1.369900       2.599200      0.9216000    
 H    5.091400       1.638600      -2.028600    
 H    1.228900      -4.015800       2.173000    
 H    5.213200       1.487100       2.263600    
 H    1.103300      -3.854400      -2.118900    
 H    6.318300       1.984200      9.9100001E-02
 H    1.135200      -5.174100     -1.8600000E-02


%chk=000018258-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018258

0 1
O -0.812631 0.743964 -0.826904
O 1.161912 1.449927 1.621038
O 0.550881 2.592674 -1.140651
N -4.785342 -0.857746 -0.360661
C -3.690789 0.157595 -0.271064
C -4.376272 1.389054 0.400207
C -5.706187 0.845526 1.016579
C -5.581941 -0.687931 0.880587
C -3.077552 0.457805 -1.653865
C -4.325277 -2.240923 -0.578445
C -1.900516 1.430233 -1.598855
C 1.339311 0.726211 0.321215
C 0.361660 1.450135 -0.650376
C 2.808889 0.774507 -0.131403
C 0.897310 -0.722345 0.601534
C 3.240874 1.271848 -1.383789
C 0.132430 -1.042988 1.747390
C 3.775954 0.266865 0.777309
C 1.229288 -1.746710 -0.318437
C 1.704416 2.819036 1.692885
C 4.614428 1.252058 -1.724796
C -0.289570 -2.372929 1.971890
C 5.144565 0.258920 0.442761
C 0.801056 -3.073380 -0.097882
C 5.570279 0.749465 -0.815618
C 0.038294 -3.392964 1.049689
H -2.875553 -0.217998 0.397664
H -3.718072 1.829678 1.169254
H -4.587326 2.177047 -0.346202
H -5.847003 1.157143 2.066250
H -6.572739 1.205246 0.435616
H -6.557725 -1.198685 0.790000
H -5.051627 -1.113512 1.772870
H -2.734906 -0.478091 -2.133666
H -3.864044 0.890287 -2.303199
H -3.801451 -2.327719 -1.546026
H -3.628060 -2.598219 0.222082
H -5.196571 -2.919619 -0.608605
H -2.144533 2.374332 -1.078753
H -1.509088 1.676122 -2.602388
H 2.518180 1.692360 -2.088030
H -0.115400 -0.249928 2.456976
H 3.440972 -0.120774 1.746037
H 1.831065 -1.510362 -1.203625
H 1.467162 3.152769 2.715551
H 1.227159 3.484299 0.950859
H 2.799427 2.825329 1.539113
H 4.934497 1.638006 -2.699173
H -0.874500 -2.611934 2.867693
H 5.877817 -0.133917 1.156079
H 1.066110 -3.856827 -0.816997
H 6.633418 0.739106 -1.081199
H -0.289980 -4.423946 1.224781


