%chk=000031887.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031887

0 1
 O    1.907800      0.4274000     -4.4500001E-02
 O   0.8152000      -1.527200      0.4201000    
 N    5.566600      8.0799997E-02  0.1194000    
 N  -0.3446000      0.4502000     -7.5000003E-02
 C    4.297600      0.7374000     -9.2799999E-02
 C    5.728100      -1.064200     -0.7862000    
 C    6.683500       1.017600     -6.1000001E-02
 C    3.160400     -0.2443000      0.1338000    
 C    7.026100      -1.803900     -0.5098000    
 C    6.548900       2.216800      0.8620000    
 C   -4.042400      0.6713000     -0.1701000    
 C   -4.392600     -0.6617000      0.1511000    
 C   -1.688300      8.1100002E-02 -9.9999997E-05
 C   -2.685500       1.026500     -0.2418000    
 C   -3.375700      -1.600400      0.3909000    
 C   -2.032800      -1.229900      0.3154000    
 C   0.7854000     -0.3377000      0.1293000    
 C   -5.059300       1.609800     -0.4102000    
 C   -5.749400      -1.017100      0.2227000    
 C   -6.402200       1.239200     -0.3344000    
 C   -6.746700     -7.1699999E-02 -1.8500000E-02
 H    4.131100       1.558800      0.6128000    
 H    4.215800       1.174100      -1.097200    
 H    5.682600     -0.7644000      -1.840600    
 H    4.954800      -1.818200     -0.6197000    
 H    7.632300      0.5426000      0.2082000    
 H    6.764000       1.360600      -1.100200    
 H    3.162300      -1.056800     -0.5972000    
 H    3.203500     -0.6596000       1.148200    
 H    7.902300      -1.267500     -0.8866000    
 H    7.161500      -2.002700      0.5590000    
 H    7.012800      -2.773100      -1.021800    
 H    5.780600       2.919900      0.5256000    
 H    6.332000       1.915300       1.892600    
 H    7.492800       2.773600      0.8783000    
 H   -2.407500       2.050300     -0.4884000    
 H   -3.623300      -2.630500      0.6391000    
 H   -1.317100      -2.015400      0.5147000    
 H  -0.1643000       1.423300     -0.3102000    
 H   -4.813600       2.640100     -0.6588000    
 H   -6.041700      -2.036100      0.4677000    
 H   -7.179100       1.974700     -0.5223000    
 H   -7.792300     -0.3595000      4.0199999E-02


%chk=000031887-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031887

0 1
O 1.897884 0.523221 0.001553
O 0.848841 -1.466289 0.711807
N 5.620631 0.172947 -0.219588
N -0.353819 0.440991 -0.040235
C 4.269878 0.731070 -0.469818
C 5.963669 -0.947631 -1.137716
C 6.684742 1.205876 -0.118151
C 3.226652 -0.066842 0.323310
C 6.967307 -1.942479 -0.524613
C 6.639764 1.980889 1.212509
C -4.088828 0.636702 -0.237268
C -4.475399 -0.676151 0.240196
C -1.714119 0.042417 0.061327
C -2.700642 0.966893 -0.315856
C -3.442321 -1.595824 0.616332
C -2.092312 -1.261199 0.535261
C 0.781169 -0.292217 0.271451
C -5.116676 1.564956 -0.615862
C -5.866811 -1.009411 0.320410
C -6.464997 1.211687 -0.526655
C -6.845866 -0.085959 -0.054860
H 4.237858 1.783921 -0.138319
H 3.996735 0.725761 -1.551081
H 6.355577 -0.565632 -2.114338
H 5.028750 -1.491238 -1.370297
H 7.659550 0.690512 -0.191103
H 6.641892 1.923275 -0.976641
H 3.219765 -1.137839 0.054755
H 3.405848 0.023134 1.408813
H 7.930382 -1.459015 -0.279951
H 6.556677 -2.371148 0.405928
H 7.176649 -2.765319 -1.233438
H 5.686040 2.525039 1.340457
H 6.749185 1.283325 2.060933
H 7.457050 2.725017 1.255136
H -2.413939 1.963341 -0.677916
H -3.727720 -2.590811 0.978323
H -1.312345 -1.968046 0.824826
H -0.167563 1.386262 -0.382542
H -4.828794 2.559742 -0.977243
H -6.152644 -2.004355 0.682479
H -7.240726 1.928556 -0.818129
H -7.907371 -0.348630 0.009514


