%chk=000058784.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058784

0 1
 O  -0.2580000     -0.5080000      0.1101000    
 O    2.718800     -0.6145000      -1.808500    
 O   9.9799998E-02  3.9200000E-02  -2.099900    
 N   -3.967700      0.9771000      0.9212000    
 C   -3.866000     -0.4557000       1.237700    
 C   -3.581000       1.216300     -0.4775000    
 C   -2.375000     -0.8427000       1.194900    
 C   -2.075500      0.9145000     -0.6079000    
 C   -1.667300     -0.4731000     -0.1092000    
 C   -4.754100      -1.329800      0.3322000    
 C   -4.453300      0.4351000      -1.478300    
 C   -4.607800      -1.050600      -1.161700    
 C    2.214800      -1.462000      0.3388000    
 C    2.001600     -0.2970000     -0.6116000    
 C    1.726400      -2.793700     -0.2227000    
 C    3.686600      -1.747700      0.6196000    
 C   -5.261900       1.554700       1.269300    
 C    2.428700      -3.839400      0.6378000    
 C    3.684400      -3.162300       1.189800    
 C   0.5199000     -0.2297000     -0.9810000    
 C    2.508800       1.059100     -0.1396000    
 C    1.924300       1.640900      0.9663000    
 C    3.536700       1.664000     -0.8327000    
 C    2.388600       2.883300       1.398400    
 C    4.001100       2.906200     -0.4005000    
 C    3.427000       3.515800      0.7150000    
 H   -4.190800     -0.6180000       2.274300    
 H   -3.696700       2.285200     -0.7028000    
 H   -1.857800     -0.3455000       2.028400    
 H   -2.251600      -1.916300       1.385600    
 H   -1.809400       1.072400      -1.656600    
 H   -1.513900       1.674300     -4.5200001E-02
 H   -1.889700      -1.233800     -0.8620000    
 H   -5.804300      -1.169400      0.6083000    
 H   -4.556400      -2.391400      0.5236000    
 H   -4.056400      0.5498000      -2.494300    
 H   -5.454200      0.8853000      -1.499000    
 H   -3.760200      -1.609700      -1.566500    
 H   -5.482500      -1.446200      -1.692600    
 H    1.721400      -1.282900       1.305000    
 H    2.025500      -2.955400      -1.263300    
 H   0.6404000      -2.916300     -0.1700000    
 H    4.126400      -1.033300       1.322900    
 H    4.294100      -1.733100     -0.2927000    
 H   -5.255600       2.635700       1.090500    
 H   -5.462900       1.419600       2.337900    
 H   -6.099400       1.125200      0.7114000    
 H    2.672100      -4.735400      5.7700001E-02
 H    1.781400      -4.151000       1.465800    
 H    3.637900      -3.131900       2.284500    
 H    4.594400      -3.705300      0.9153000    
 H    2.209900      -1.258300      -2.328000    
 H    1.123000       1.162100       1.518900    
 H    4.019300       1.229700      -1.701500    
 H    1.943400       3.356900       2.268500    
 H    4.810700       3.398800     -0.9312000    
 H    3.789300       4.482600       1.052000    


%chk=000058784-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058784

0 1
O -0.309581 -0.418453 0.071692
O 2.751860 -0.911111 -1.858043
O 0.134426 -0.616348 -2.205847
N -4.089720 1.031147 0.938222
C -3.978815 -0.438085 1.166408
C -3.699691 1.363232 -0.462821
C -2.472204 -0.817572 1.098335
C -2.179491 1.074829 -0.613551
C -1.803669 -0.362558 -0.207043
C -4.901034 -1.253888 0.206719
C -4.608484 0.648275 -1.511552
C -4.709400 -0.885982 -1.290116
C 2.334640 -1.590257 0.459177
C 2.034449 -0.525862 -0.642419
C 1.864649 -3.034837 0.082913
C 3.849821 -1.725753 0.772110
C -5.352611 1.639488 1.395384
C 3.018691 -3.995582 0.516838
C 3.951860 -3.131339 1.408930
C 0.526338 -0.520798 -1.011086
C 2.467057 0.890948 -0.189481
C 1.878576 1.518283 0.939212
C 3.505602 1.556626 -0.882979
C 2.322705 2.790604 1.361352
C 3.948475 2.830297 -0.459418
C 3.359664 3.453453 0.664153
H -4.310631 -0.635718 2.204820
H -3.829342 2.456134 -0.589813
H -1.964365 -0.306660 1.936709
H -2.342153 -1.907430 1.233475
H -1.848257 1.272558 -1.648558
H -1.645484 1.769480 0.060961
H -1.974205 -1.066528 -1.037687
H -5.952792 -1.055154 0.495477
H -4.735892 -2.338649 0.358054
H -4.241468 0.862399 -2.533959
H -5.622847 1.090718 -1.442827
H -3.808473 -1.384852 -1.691983
H -5.558421 -1.286284 -1.877081
H 1.808099 -1.262397 1.375639
H 1.688693 -3.111956 -1.005246
H 0.916648 -3.279844 0.595730
H 4.222629 -0.917975 1.425744
H 4.421539 -1.696222 -0.173941
H -5.289803 2.736680 1.275671
H -5.489024 1.425204 2.471386
H -6.271809 1.293948 0.863144
H 3.577533 -4.337443 -0.374241
H 2.647632 -4.896098 1.038861
H 3.572520 -3.104819 2.449961
H 4.987956 -3.514295 1.440812
H 2.100932 -0.844886 -2.612915
H 1.067272 1.021125 1.480960
H 3.959925 1.056384 -1.742799
H 1.858135 3.264633 2.233727
H 4.755386 3.332734 -1.005307
H 3.703253 4.440857 0.993039


