%chk=000046811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046811

0 1
 O  -0.9490000     -0.7589000     -0.2827000    
 O   -1.720800      -2.916200     -5.0999999E-02
 N   -4.046200       1.599400      0.8076000    
 C   -4.459300      0.1843000      0.7516000    
 C   -3.633400       1.872300     -0.5822000    
 C   -5.251900      6.7900002E-02 -0.5551000    
 C   -4.703600       1.189600      -1.440900    
 C   -3.160600     -0.6447000      0.7117000    
 C   -2.249500       1.217000     -0.7591000    
 C   -2.276900     -0.2950000     -0.4949000    
 C   -5.115900       2.483400       1.263900    
 C  -0.8100000      -2.100500     -7.1400002E-02
 C   0.6304000      -2.438400      0.1154000    
 C    4.810200       1.487600     -3.3000000E-03
 C    1.703400      -1.429200      8.4899999E-02
 C    3.722800      0.4674000      2.7600000E-02
 C    2.329900      -1.141200      -1.116800    
 C    2.066100     -0.7884000       1.258700    
 C   0.9352000      -3.726300      0.3408000    
 C    4.451500       2.667800     -0.9585000    
 C    6.152500      0.8690000     -0.5035000    
 C    5.146100       2.153000       1.372600    
 C    3.346500     -0.1865000      -1.145600    
 C    3.082600      0.1664000       1.229900    
 H   -5.051500     -0.1203000       1.622000    
 H   -3.551100       2.943200     -0.7996000    
 H   -6.320600      0.2345000     -0.3753000    
 H   -5.147400     -0.9138000      -1.028700    
 H   -4.307200      0.8060000      -2.386800    
 H   -5.510900       1.891100      -1.682700    
 H   -3.455400      -1.698300      0.7024000    
 H   -2.597900     -0.4950000       1.643500    
 H   -1.525100       1.696000     -8.5800000E-02
 H   -1.871000       1.398100      -1.773000    
 H   -2.668000     -0.7913000      -1.392900    
 H   -6.020900       2.440300      0.6493000    
 H   -4.764700       3.521100       1.276500    
 H   -5.394200       2.234200       2.293800    
 H    3.515300       3.147800     -0.6496000    
 H    4.324900       2.332500      -1.993700    
 H    5.237100       3.432400     -0.9603000    
 H    6.070600      0.4866000      -1.526800    
 H    6.959400       1.611000     -0.4994000    
 H    6.459200      3.4400001E-02  0.1379000    
 H    5.482400       1.411000       2.106200    
 H    4.279600       2.683600       1.784400    
 H    5.952500       2.889000       1.268900    
 H    2.045000      -1.642700      -2.037800    
 H    1.573400      -1.013500       2.201100    
 H    3.827900      2.8500000E-02  -2.095300    
 H    3.334700      0.6441000       2.170100    
 H   0.1812000      -4.505700      0.3808000    
 H    1.962600      -4.044500      0.4940000    


%chk=000046811-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046811

0 1
O -1.059486 -0.764477 -0.483461
O -1.709804 -3.002288 -0.478320
N -4.031150 1.848466 0.781878
C -4.284957 0.438460 1.225114
C -3.970111 1.680940 -0.707754
C -5.388777 -0.108438 0.244107
C -5.177604 0.733465 -1.061541
C -2.949555 -0.338217 1.085516
C -2.601562 1.035101 -1.048268
C -2.499771 -0.351145 -0.391766
C -5.060991 2.813273 1.233569
C -0.800301 -2.133772 -0.514502
C 0.672933 -2.434911 -0.643151
C 4.996919 1.526285 0.206727
C 1.714483 -1.385172 -0.443838
C 3.837737 0.523940 -0.001237
C 2.873277 -1.364676 -1.268233
C 1.635752 -0.424628 0.596916
C 0.988272 -3.725289 -0.964665
C 5.178536 2.382146 -1.083608
C 6.312224 0.738540 0.490331
C 4.739957 2.487410 1.395753
C 3.905595 -0.433075 -1.051277
C 2.676615 0.503348 0.813074
H -4.611711 0.426751 2.279384
H -4.045807 2.664982 -1.202015
H -6.397103 0.055857 0.663455
H -5.279220 -1.193484 0.070252
H -4.958055 0.101332 -1.940291
H -6.078257 1.325864 -1.301395
H -3.057284 -1.374072 1.455033
H -2.184964 0.180147 1.692415
H -1.799074 1.684433 -0.656246
H -2.471160 0.945821 -2.142772
H -3.084525 -1.105270 -0.950541
H -6.102511 2.577534 0.906708
H -4.804585 3.818370 0.853877
H -5.053101 2.858207 2.337228
H 4.262716 2.960790 -1.303483
H 5.399508 1.752136 -1.963771
H 6.016655 3.093167 -0.955960
H 6.568400 0.059326 -0.342258
H 7.156080 1.440738 0.628261
H 6.214650 0.128584 1.407029
H 4.631519 1.938897 2.349730
H 3.831591 3.098170 1.239532
H 5.594770 3.180094 1.503364
H 2.949585 -2.071427 -2.102973
H 0.754654 -0.402343 1.244906
H 4.774858 -0.449841 -1.719440
H 2.570595 1.218341 1.634330
H 0.195133 -4.464320 -1.117796
H 2.028413 -4.053968 -1.055026


