%chk=000046324.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046324

0 1
 O   -2.261100       2.301200     -0.1097000    
 C    2.905900     -0.1997000     -0.1740000    
 C    1.745900      0.1058000      0.7786000    
 C    4.284200      2.8100001E-02  0.4503000    
 C   0.3409000     -2.3100000E-02  0.1823000    
 C    5.399900     -0.2050000     -0.5708000    
 C  -0.7760000      0.2383000       1.195800    
 C    6.779400     -1.0200000E-02  5.8300000E-02
 C   -2.138200      1.1700000E-02  0.5898000    
 C   -2.808800       1.055900     -3.0400001E-02
 C    7.891300     -0.2747000     -0.9442000    
 C   -2.700400      -1.254800      0.6670000    
 C   -4.068200      0.8293000     -0.5853000    
 C   -4.643900     -0.4393000     -0.5140000    
 C   -3.959800      -1.481300      0.1123000    
 C   -5.991000     -0.6821000      -1.106000    
 H    2.825800      -1.239000     -0.5154000    
 H    2.804500      0.4339000      -1.063900    
 H    1.865300       1.126800       1.163200    
 H    1.824700     -0.5618000       1.646200    
 H    4.349100       1.053200      0.8347000    
 H    4.413000     -0.6470000       1.304800    
 H   0.2480000      0.6693000     -0.6637000    
 H   0.2304000      -1.032800     -0.2344000    
 H    5.279000      0.4858000      -1.414000    
 H    5.320900      -1.222500     -0.9729000    
 H  -0.6522000     -0.4436000       2.048500    
 H  -0.6891000       1.239000       1.634500    
 H    6.873100       1.013000      0.4401000    
 H    6.898600     -0.6874000      0.9122000    
 H    7.819900      0.4067000      -1.797900    
 H    8.868600     -0.1284000     -0.4736000    
 H    7.845400      -1.302000      -1.319400    
 H   -2.176000      -2.074600       1.149900    
 H   -4.596200       1.644800      -1.073800    
 H   -4.396700      -2.474700      0.1723000    
 H   -6.612400      0.2185000      -1.055700    
 H   -5.892100     -0.9823000      -2.153900    
 H   -6.525200      -1.470100     -0.5644000    
 H   -1.304300       2.269000      4.2300001E-02


%chk=000046324-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046324

0 1
O -2.098329 2.163517 -0.394739
C 2.916508 -0.136086 -0.171280
C 1.774200 0.071628 0.848574
C 4.324465 0.038097 0.441969
C 0.370445 -0.118492 0.233299
C 5.464943 -0.155655 -0.582880
C -0.776603 0.089086 1.264758
C 6.874473 0.011248 0.029728
C -2.165460 -0.078311 0.665601
C -2.752044 0.938150 -0.140160
C 8.006401 -0.176179 -1.003824
C -2.919752 -1.260848 0.856798
C -4.025015 0.778006 -0.726497
C -4.761789 -0.413883 -0.532853
C -4.193759 -1.434598 0.273479
C -6.118218 -0.599745 -1.192140
H 2.832651 -1.150928 -0.612972
H 2.792355 0.578614 -1.011614
H 1.855481 1.089799 1.285618
H 1.902690 -0.638336 1.692358
H 4.406174 1.049515 0.892859
H 4.453621 -0.684535 1.274867
H 0.244788 0.572266 -0.625726
H 0.284173 -1.139938 -0.186584
H 5.339691 0.570628 -1.413181
H 5.382166 -1.164715 -1.038570
H -0.644853 -0.641210 2.085261
H -0.658576 1.088404 1.741689
H 6.954780 1.017681 0.489343
H 7.001106 -0.718201 0.855737
H 7.919989 0.562294 -1.823215
H 9.003192 -0.053157 -0.541545
H 7.965849 -1.184831 -1.456912
H -2.496838 -2.057496 1.481705
H -4.426874 1.598232 -1.331036
H -4.752014 -2.361971 0.446651
H -6.651953 0.360969 -1.299903
H -6.011583 -1.031827 -2.206331
H -6.759219 -1.284378 -0.609193
H -1.235061 2.201086 0.086559


