%chk=000026648.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026648

0 1
 O    1.736000     -0.6911000       2.158400    
 O   -4.008200      0.9434000     -6.5700002E-02
 O    5.521000       1.869900     -0.2294000    
 O    6.987100     -0.3113000      -1.135000    
 N  -0.6527000     -0.3965000      0.6237000    
 C   0.6704000     -0.1768000      2.6200000E-02
 C    1.723400      -1.029800      0.7688000    
 C   -1.644700      0.4566000     -7.1000000E-03
 C   0.5793000     -0.5205000      -1.461800    
 C    3.135000     -0.8334000      0.2585000    
 C   -3.022800      0.1444000      0.5774000    
 C   -1.267900       1.926500      0.1798000    
 C    3.679100      0.4389000      0.2506000    
 C    3.849700      -1.930800     -0.1884000    
 C    4.979900      0.6197000     -0.2193000    
 C    5.150500      -1.749900     -0.6586000    
 C    5.715700     -0.4747000     -0.6739000    
 C   -5.276300      0.4283000     -0.1272000    
 C   -5.722300     -0.4250000      0.8757000    
 C   -6.103800      0.7632000      -1.193100    
 C   -7.013000     -0.9502000      0.8119000    
 C   -7.394500      0.2381000      -1.256700    
 C    6.228100       2.279500      0.9395000    
 C   -7.849200     -0.6186000     -0.2542000    
 H   0.9701000      0.8668000      0.1487000    
 H    1.448900      -2.090800      0.7041000    
 H   -1.749800      0.2661000      -1.080500    
 H  -0.9185000      -1.376000      0.5241000    
 H    1.574500     -0.5809000      -1.915000    
 H   9.7099997E-02  -1.490500      -1.630600    
 H   5.1600002E-02  0.2419000      -2.043000    
 H   -3.220400     -0.9256000      0.4227000    
 H   -3.036800      0.3602000       1.653500    
 H  -0.4416000       2.237100     -0.4670000    
 H   -1.002800       2.147600       1.220300    
 H   -2.106000       2.582800     -8.0799997E-02
 H    3.122300       1.297400      0.6145000    
 H    3.420600      -2.928300     -0.1818000    
 H   0.8270000     -0.7918000       2.488900    
 H    5.718300      -2.606500      -1.011400    
 H   -5.114500     -0.6863000       1.736300    
 H   -5.753400       1.429600      -1.976000    
 H    7.204600      0.6365000      -1.112600    
 H   -7.369800      -1.612300       1.595500    
 H   -8.045500      0.4966000      -2.086700    
 H    5.551800       2.321200       1.799200    
 H    7.059900       1.599600       1.149400    
 H    6.631000       3.280600      0.7629000    
 H   -8.854700      -1.026100     -0.3029000    


%chk=000026648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026648

0 1
O 1.424338 -0.792248 1.675978
O -3.935854 0.529915 -0.529051
O 5.792226 1.811406 0.856320
O 7.297257 0.216805 -0.678137
N -0.511704 -0.812173 -0.114719
C 0.863284 -0.708897 -0.701937
C 1.846348 -1.305697 0.373831
C -1.556043 0.134745 -0.610364
C 0.995577 -1.374727 -2.085272
C 3.297940 -0.931512 0.118183
C -2.861487 -0.226734 0.123876
C -1.174505 1.603455 -0.345567
C 3.808904 0.279701 0.653153
C 4.139639 -1.754027 -0.665523
C 5.136068 0.651706 0.383992
C 5.474362 -1.374263 -0.943172
C 5.975851 -0.168953 -0.423852
C -5.238857 0.400937 -0.014539
C -5.584247 -0.415251 1.091013
C -6.231564 1.157018 -0.686129
C -6.932758 -0.465300 1.516814
C -7.569143 1.095718 -0.249169
C 5.038176 2.693886 1.747533
C -7.929584 0.284183 0.855405
H 1.100518 0.366860 -0.781043
H 1.745250 -2.416502 0.346099
H -1.747582 0.007730 -1.701101
H -0.847573 -1.786602 -0.196817
H 2.011297 -1.236355 -2.494294
H 0.800776 -2.463391 -2.019413
H 0.276816 -0.940633 -2.804289
H -3.071534 -1.315769 0.044972
H -2.784780 0.047295 1.195892
H -0.353834 1.946707 -0.998736
H -0.861314 1.735152 0.706542
H -2.050376 2.244767 -0.542037
H 3.157098 0.869402 1.304069
H 3.762471 -2.706947 -1.055207
H 0.427288 -0.673196 1.547942
H 6.136643 -2.004079 -1.544284
H -4.829261 -1.004075 1.620388
H -5.934636 1.777507 -1.537448
H 7.463757 1.076410 -0.207024
H -7.198745 -1.096476 2.372336
H -8.332923 1.682415 -0.771661
H 4.147226 3.104823 1.235247
H 4.724576 2.155907 2.662077
H 5.728699 3.509230 2.008771
H -8.970380 0.238928 1.192254


