%chk=000006237.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006237

0 1
 I    4.026500     -0.5439000       2.928300    
 I    3.802300      0.1720000      -3.128700    
 O   -3.591300     -3.4299999E-02  0.1918000    
 O  -0.3701000       2.710300      0.3873000    
 O    4.910100     -0.5799000     -0.1839000    
 C   -1.436100      0.6124000      0.1900000    
 C   -1.471500     -0.7973000      2.4599999E-02
 C   -2.745100       1.024500      0.2866000    
 C   -2.818400      -1.145300      3.2200001E-02
 C   -3.379900       2.339100      0.4668000    
 C  -0.2921000       1.475300      0.2506000    
 C  -0.5155000      -1.816400     -0.1309000    
 C    1.094600      0.9278000      0.1356000    
 C   -3.289400      -2.449800     -0.1047000    
 C   -3.688800       3.041900     -0.8628000    
 C  -0.9589000      -3.138700     -0.2707000    
 C   -2.321600      -3.447100     -0.2574000    
 C    1.659400      0.8295000      -1.114000    
 C    1.747700      0.5454000       1.283500    
 C    3.041300      3.4499999E-02   1.175400    
 C    2.952900      0.3188000      -1.222300    
 C    3.643800     -7.8699999E-02 -7.7500001E-02
 H   -4.320800       2.215900       1.017700    
 H   -2.757500       2.992700       1.086800    
 H   0.5512000      -1.635900     -0.1485000    
 H   -4.347800      -2.681200     -9.3500003E-02
 H   -2.771600       3.222100      -1.433300    
 H   -4.173200       4.005500     -0.6771000    
 H   -4.357700       2.433700      -1.481000    
 H  -0.2303000      -3.936400     -0.3913000    
 H   -2.635900      -4.482000     -0.3680000    
 H    1.104500       1.144400      -1.993700    
 H    1.260900      0.6418000       2.250300    
 H    5.229900     -0.8019000      0.7075000    


%chk=000006237-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000006237

0 1
I 3.408333 -1.686326 2.535494
I 5.041574 1.925649 -2.180896
O -3.543655 0.046947 0.629233
O -0.454722 2.481705 -1.076599
O 5.237712 -0.096671 0.270163
C -1.395164 0.512156 -0.086028
C -1.555192 -0.948800 -0.047553
C -2.619741 1.064129 0.307380
C -2.888105 -1.186334 0.393056
C -3.122630 2.464099 0.440033
C -0.254615 1.346239 -0.528253
C -0.756212 -2.072647 -0.382589
C 1.157320 0.880757 -0.309861
C -3.462984 -2.452653 0.551009
C -3.924472 2.920064 -0.812629
C -1.309742 -3.363107 -0.237572
C -2.640233 -3.555868 0.228321
C 2.177956 1.439803 -1.125120
C 1.512762 -0.013307 0.732164
C 2.863475 -0.338406 0.936116
C 3.522086 1.097852 -0.924079
C 3.896826 0.198879 0.116009
H -3.763349 2.530537 1.339283
H -2.258549 3.137184 0.569216
H 0.265193 -1.949993 -0.753865
H -4.493079 -2.574372 0.896577
H -3.269372 2.916790 -1.699768
H -4.303120 3.946469 -0.661895
H -4.785956 2.255041 -0.997790
H -0.701887 -4.237813 -0.492487
H -3.036498 -4.571432 0.330560
H 1.885491 2.150594 -1.903115
H 0.742022 -0.426292 1.387352
H 5.380126 -0.722074 1.033832


