%chk=000028975.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028975

0 1
 O    3.371700       1.553900      0.3903000    
 O    2.977100      -3.580400      0.3541000    
 O    2.386600       2.993800      -1.097200    
 N  -0.8279000      0.2320000     -0.6686000    
 N   -4.458300      0.3119000      0.2088000    
 C   -2.262600      0.1826000     -0.8627000    
 C  -3.0400001E-02 -0.8616000     -0.4169000    
 C   -3.021400      0.3415000      0.4516000    
 C  -6.8899997E-02   1.370700     -0.7087000    
 C    1.280000     -0.3948000     -0.2933000    
 C    1.240300       1.015300     -0.4800000    
 C   -4.843400     -0.9330000     -0.4588000    
 C   -5.196900      0.4637000       1.463900    
 C  -0.3653000      -2.214400     -0.2904000    
 C  -0.6672000       2.699500     -0.9630000    
 C    2.308100      -1.321800     -3.0300001E-02
 C    1.987900      -2.678100      9.8800004E-02
 C    2.341200       1.937400     -0.4441000    
 C   0.6711000      -3.115400     -2.9700000E-02
 C   -6.328800     -0.9483000     -0.7776000    
 C   -4.812800       1.750200       2.174800    
 C    4.502500       2.428700      0.4733000    
 C    4.303200      -3.070300      0.4744000    
 C    5.514500       1.836900       1.431100    
 H   -2.541700      0.9593000      -1.584400    
 H   -2.444000     -0.7733000      -1.360000    
 H   -2.720500     -0.4451000       1.156800    
 H   -2.711400       1.295400      0.8891000    
 H   -4.367100      -1.026900      -1.437700    
 H   -4.576700      -1.818700      0.1313000    
 H   -6.271800      0.5421000       1.271400    
 H   -5.041200     -0.3890000       2.136900    
 H   -1.386900      -2.567000     -0.3823000    
 H  -0.8066000       2.853700      -2.038000    
 H  -3.3000000E-02   3.507700     -0.5870000    
 H   -1.634900       2.824400     -0.4694000    
 H    3.316900     -0.9394000      5.1500000E-02
 H   0.4381000      -4.172500      7.4800000E-02
 H   -6.945400      -1.121900      0.1096000    
 H   -6.651100     -1.8700000E-02  -1.259500    
 H   -6.547300      -1.767600      -1.472200    
 H   -5.537600       1.958400       2.970400    
 H   -4.821100       2.609700       1.495500    
 H   -3.833400       1.685600       2.658700    
 H    4.177100       3.409900      0.8359000    
 H    4.951000       2.537400     -0.5202000    
 H    4.649500      -2.621300     -0.4628000    
 H    4.397400      -2.385800       1.324400    
 H    4.959200      -3.922900      0.6793000    
 H    6.394600       2.480000       1.517100    
 H    5.073300       1.705600       2.424600    
 H    5.831900      0.8454000       1.091500    


%chk=000028975-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028975

0 1
O 3.580186 1.491011 0.359920
O 2.989050 -3.626271 0.137607
O 2.256532 3.402199 0.183025
N -0.843564 0.397578 -0.491350
N -4.541864 0.025424 0.331073
C -2.297126 0.335753 -0.707452
C -0.008054 -0.732962 -0.353028
C -3.091248 0.125509 0.609969
C -0.088089 1.556445 -0.315016
C 1.322205 -0.270994 -0.094269
C 1.259306 1.186159 -0.070907
C -4.977642 -1.364325 0.022015
C -5.397581 0.702909 1.341919
C -0.322657 -2.106317 -0.445956
C -0.700221 2.923568 -0.412318
C 2.369067 -1.213486 0.078152
C 2.050694 -2.585020 -0.014230
C 2.341081 2.140085 0.156472
C 0.720256 -3.031546 -0.274453
C -6.219730 -1.419564 -0.887757
C -5.345008 2.238963 1.237937
C 4.739059 2.395845 0.599570
C 4.373562 -3.240009 0.406926
C 5.971321 1.506280 0.743160
H -2.640974 1.269080 -1.180959
H -2.514073 -0.485902 -1.413985
H -2.696847 -0.773262 1.139949
H -2.901858 0.988925 1.272421
H -4.141656 -1.872783 -0.495424
H -5.165949 -1.948012 0.958153
H -6.439072 0.376425 1.169361
H -5.134049 0.383126 2.381595
H -1.341322 -2.456382 -0.643675
H -1.077635 3.128027 -1.433418
H 0.067716 3.673989 -0.172722
H -1.550928 3.046214 0.285117
H 3.379457 -0.852541 0.273161
H 0.539956 -4.108856 -0.334485
H -7.098050 -0.944207 -0.415186
H -6.019305 -0.893241 -1.837072
H -6.488379 -2.468829 -1.111521
H -6.017248 2.699954 1.985274
H -5.659099 2.562569 0.230358
H -4.327565 2.631097 1.421475
H 4.540907 2.989999 1.510418
H 4.822644 3.096987 -0.250713
H 4.791305 -2.632028 -0.419784
H 4.457432 -2.673004 1.355188
H 4.927620 -4.187001 0.489286
H 6.865435 2.130311 0.925433
H 5.858114 0.808512 1.591316
H 6.141491 0.918097 -0.175469


