%chk=000026394.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026394

0 1
 O    5.974300     -0.1285000      5.8800001E-02
 O    4.326100       1.852100     -0.9715000    
 O   -4.885200       1.214900       1.227500    
 O   -6.113100     -0.6401000     -0.4378000    
 N  -9.2299998E-02  -1.698700       1.223400    
 C    2.081200      -2.755100       1.444600    
 C    2.668000      -1.521500      0.7984000    
 C    1.814700     -0.5407000      0.2384000    
 C   0.7682000      -2.413200       2.140100    
 C   0.3376000     -0.7467000      0.3160000    
 C    4.061100      -1.377800      0.7218000    
 C    2.402500      0.5953000     -0.3426000    
 C    4.619700     -0.2505000      0.1263000    
 C    3.792100      0.7366000     -0.3988000    
 C  -0.5206000     -8.1000000E-02 -0.4768000    
 C   -1.982000     -0.2250000     -0.4637000    
 C   -2.753600      0.5703000      0.3832000    
 C   -2.598300      -1.157200      -1.298700    
 C   -4.141900      0.4338000      0.3953000    
 C    6.682300      -1.142400     -0.6521000    
 C    3.983500       3.106900     -0.3874000    
 C   -4.758300     -0.4983000     -0.4394000    
 C   -3.986400      -1.293900      -1.286300    
 C    7.925400     -0.5364000      -1.267800    
 C    5.134200       4.071500     -0.5806000    
 C   -4.368100       2.507400       1.537500    
 C   -6.723100      -1.052800      -1.659200    
 C   -5.523000       3.456000       1.778300    
 C   -8.124800     -0.4850000      -1.726800    
 H    2.775800      -3.178500       2.179200    
 H    1.916900      -3.508400      0.6641000    
 H   0.9530000      -1.785800       3.020400    
 H   0.2726000      -3.327000       2.484100    
 H   -1.091400      -1.858600       1.299700    
 H    4.704200      -2.147400       1.142200    
 H    1.786500       1.387300     -0.7599000    
 H  -0.1784000      0.6353000      -1.218500    
 H   -2.243700       1.266100       1.044800    
 H   -2.008900      -1.788200      -1.959600    
 H    6.962500      -1.936900      4.8000000E-02
 H    6.060900      -1.574200      -1.446600    
 H    3.779200       3.000400      0.6853000    
 H    3.086000       3.495400     -0.8809000    
 H   -4.421500      -2.051900      -1.930900    
 H    7.658900      0.2714000      -1.957400    
 H    8.563700     -9.6500002E-02 -0.4944000    
 H    8.499900      -1.290800      -1.812500    
 H    4.900000       5.050500     -0.1534000    
 H    5.359500       4.195000      -1.645000    
 H    6.042800       3.686700     -0.1058000    
 H   -3.748700       2.440800       2.438600    
 H   -3.774900       2.921600      0.7125000    
 H   -6.177000     -0.6811000      -2.535400    
 H   -6.766000      -2.147200      -1.689200    
 H   -6.159600       3.522200      0.8896000    
 H   -6.155300       3.093600       2.595700    
 H   -5.162000       4.457300       2.029500    
 H   -8.719400     -0.8235000     -0.8718000    
 H   -8.100300      0.6090000      -1.683500    
 H   -8.627500     -0.7908000      -2.648700    


%chk=000026394-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026394

0 1
O 6.095409 -0.037292 -0.087728
O 4.599145 1.574770 -1.570900
O -5.007235 0.512158 1.352934
O -6.168648 0.306872 -1.026109
N -0.134734 -0.971539 1.492371
C 2.001418 -2.090807 2.039439
C 2.672647 -1.135243 1.065004
C 1.863004 -0.294771 0.252822
C 0.728104 -1.416217 2.596332
C 0.379195 -0.384600 0.326080
C 4.082428 -1.062120 0.966677
C 2.500575 0.628598 -0.624659
C 4.712207 -0.170827 0.072486
C 3.901038 0.696065 -0.732168
C -0.434495 0.028149 -0.723784
C -1.899214 0.082381 -0.780936
C -2.735048 0.248752 0.373321
C -2.547708 0.024465 -2.045436
C -4.138096 0.329896 0.266048
C 6.963029 -0.899015 0.737434
C 3.801130 2.493114 -2.404523
C -4.767601 0.237071 -1.016678
C -3.952198 0.096341 -2.162010
C 8.402413 -0.559550 0.359620
C 4.793485 3.323218 -3.214577
C -4.407075 0.633433 2.692395
C -6.838650 0.218531 -2.335755
C -5.561846 0.809395 3.675245
C -8.338500 0.312283 -2.066724
H 2.687786 -2.352939 2.866413
H 1.716664 -3.034647 1.531333
H 1.024778 -0.557268 3.234320
H 0.151013 -2.116803 3.226066
H -1.099216 -1.300805 1.464202
H 4.686058 -1.716682 1.603304
H 1.876874 1.317836 -1.198815
H 0.076295 0.266870 -1.662614
H -2.263805 0.404953 1.347462
H -1.940041 -0.090717 -2.950579
H 6.769574 -0.698636 1.812065
H 6.731918 -1.964766 0.530019
H 3.174623 3.136896 -1.752531
H 3.131212 1.905350 -3.066531
H -4.406416 0.036937 -3.155679
H 8.577368 -0.753094 -0.712223
H 8.614097 0.504938 0.557222
H 9.106247 -1.175104 0.949191
H 4.252123 4.033578 -3.865843
H 5.418888 2.670965 -3.847482
H 5.458018 3.895184 -2.544990
H -3.818636 -0.280744 2.921896
H -3.720777 1.505687 2.717017
H -6.493836 1.048774 -2.987433
H -6.576351 -0.743507 -2.824281
H -6.142856 1.714866 3.431016
H -6.242389 -0.058024 3.633455
H -5.174344 0.905939 4.706068
H -8.665280 -0.509472 -1.407083
H -8.584844 1.268460 -1.574621
H -8.900928 0.248266 -3.016266


