%chk=000041322.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041322

0 1
 O    3.165100       2.049100      0.6972000    
 O    4.160300     -0.1749000       1.805400    
 O    3.736000      -1.475900      -1.574100    
 C    3.956300       1.203500     -0.1455000    
 C    2.523700       1.542900     -0.4828000    
 C    4.266200     -0.1644000      0.3829000    
 C    1.464800      0.4812000     -0.2878000    
 C    3.342600      -1.236800     -0.2224000    
 C    1.869400     -0.8691000     -0.1696000    
 C   7.8199998E-02  0.7910000     -0.2195000    
 C  -0.8726000     -0.2504000     -6.3000001E-02
 C   0.9188000      -1.887200     -2.7600000E-02
 C  -0.4463000      -1.593800      2.8300000E-02
 C   -2.261600      4.2399999E-02  1.7000000E-03
 C  -0.4041000       2.111600     -0.3001000    
 C   -2.709000       1.379600     -8.4899999E-02
 C   -3.205800      -1.001400      0.1535000    
 C   -1.394100      -2.615200      0.1773000    
 C   -1.768900       2.401900     -0.2344000    
 C   -2.756100      -2.323300      0.2389000    
 C   -4.082500       1.657200     -1.9200001E-02
 C   -4.572900     -0.6944000      0.2157000    
 C   -5.007300      0.6263000      0.1300000    
 H    4.752500       1.651000     -0.7230000    
 H    2.390500       2.233000      -1.310600    
 H    5.309300     -0.3999000      0.1433000    
 H    3.488400      -2.171200      0.3348000    
 H    1.254300      -2.920900      4.4399999E-02
 H    3.241900      3.8300000E-02   2.042800    
 H   0.2802000       2.949900     -0.4136000    
 H    4.659500      -1.779800      -1.562100    
 H   -1.080700      -3.655000      0.2488000    
 H   -2.085200       3.440900     -0.3018000    
 H   -3.462000      -3.143000      0.3557000    
 H   -4.444600       2.681100     -8.4100001E-02
 H   -5.313300      -1.483100      0.3321000    
 H   -6.068400      0.8526000      0.1796000    


%chk=000041322-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041322

0 1
O 3.198140 2.082101 0.781525
O 4.132953 -0.201881 1.857900
O 3.703238 -1.431684 -1.669163
C 3.947096 1.187540 -0.186576
C 2.516014 1.481766 -0.488740
C 4.285453 -0.194249 0.404410
C 1.483780 0.435330 -0.267228
C 3.374042 -1.276922 -0.227004
C 1.899744 -0.921027 -0.152956
C 0.096608 0.772500 -0.203882
C -0.879739 -0.279602 -0.058283
C 0.942179 -1.940110 0.000383
C -0.446427 -1.651962 0.040674
C -2.282102 0.031113 -0.005421
C -0.375213 2.140700 -0.268770
C -2.722741 1.401180 -0.090094
C -3.254812 -1.025677 0.134494
C -1.440450 -2.693344 0.183156
C -1.725024 2.439685 -0.216510
C -2.789971 -2.393044 0.225565
C -4.113654 1.689083 -0.038580
C -4.636316 -0.694608 0.180451
C -5.058397 0.649366 0.093888
H 4.730578 1.704709 -0.749494
H 2.295728 2.269513 -1.217651
H 5.342472 -0.441274 0.191121
H 3.551754 -2.228040 0.313997
H 1.275420 -2.981822 0.079114
H 3.567874 0.592535 2.082066
H 0.354098 2.953800 -0.336693
H 4.595073 -1.860850 -1.744407
H -1.099849 -3.732616 0.255800
H -2.060846 3.482334 -0.263216
H -3.533765 -3.191427 0.331365
H -4.447899 2.731146 -0.101789
H -5.375497 -1.497375 0.285248
H -6.126942 0.886917 0.131600


