%chk=000023487.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023487

0 1
 O   0.4018000      0.3830000      -1.529100    
 N   -2.200300       1.040500     -0.2703000    
 N   -2.324900      -2.714600     -0.3579000    
 C   -2.211600      -1.405900      0.2851000    
 C   -2.357600     -0.3161000     -0.7880000    
 C   -1.023600       1.722000     -0.1895000    
 C   -3.277100      -1.302200       1.375500    
 C   -3.226900       1.801100      0.2031000    
 C   -1.300800       2.957800      0.3522000    
 C   -2.124300      -3.783500      0.6199000    
 C   -1.359500      -2.832900      -1.449900    
 C   0.2501000       1.215800     -0.6011000    
 C   -2.694600       3.007900      0.6005000    
 C    1.527300       1.704300      0.1209000    
 C    2.638200      0.6856000      0.1995000    
 C    2.696800     -0.1735000       1.285800    
 C    3.579700      0.6268000     -0.8159000    
 C    3.723300      -1.115200       1.358500    
 C    4.606100     -0.3150000     -0.7433000    
 C    4.677800      -1.185900      0.3441000    
 H   -1.227300      -1.293800      0.7618000    
 H   -3.367800     -0.3588000      -1.220500    
 H   -1.685000     -0.3985000      -1.638600    
 H   -4.283800      -1.473000      0.9774000    
 H   -3.270100     -0.3149000       1.846200    
 H   -3.107500      -1.998900       2.202200    
 H   -4.246300       1.439400      0.2192000    
 H  -0.5861000       3.745800      0.5471000    
 H   -2.970100      -3.878500       1.307500    
 H   -1.199800      -3.658600       1.195600    
 H   -2.070700      -4.757500      0.1179000    
 H   -1.287700      -3.874700      -1.787600    
 H  -0.3503000      -2.517400      -1.160700    
 H   -1.679100      -2.288800      -2.343800    
 H   -3.251100       3.833700       1.020800    
 H    1.876200       2.606500     -0.3969000    
 H    1.266800       2.014900       1.140600    
 H    1.956100     -0.1283000       2.079100    
 H    3.531000       1.299500      -1.667400    
 H    3.778500      -1.794000       2.204400    
 H    5.349100     -0.3706000      -1.533400    
 H    5.476800      -1.919400      0.4004000    


%chk=000023487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023487

0 1
O 0.015036 0.163994 -1.851869
N -2.078498 0.939774 0.099492
N -2.514553 -2.677190 -0.960172
C -2.083032 -1.605760 -0.011101
C -2.601720 -0.256039 -0.602320
C -0.792364 1.522094 -0.027595
C -2.610638 -1.798363 1.423021
C -2.782172 1.628526 1.070150
C -0.732913 2.597764 0.901178
C -2.804476 -4.006761 -0.388331
C -1.597046 -2.801626 -2.118732
C 0.215486 1.089342 -0.992992
C -1.976421 2.665153 1.584589
C 1.599197 1.766010 -0.941315
C 2.568849 0.976154 -0.058902
C 3.134836 1.554123 1.104565
C 2.915435 -0.358026 -0.398430
C 4.033876 0.819341 1.911791
C 3.811978 -1.093434 0.407287
C 4.375939 -0.507603 1.565481
H -0.968285 -1.553105 0.032459
H -3.703163 -0.244330 -0.522263
H -2.320144 -0.189051 -1.662040
H -3.715316 -1.862070 1.440269
H -2.305922 -0.940091 2.047174
H -2.199980 -2.708790 1.891547
H -3.801862 1.343218 1.324615
H 0.120446 3.257156 1.048056
H -3.572491 -3.944101 0.398657
H -1.905895 -4.522433 0.037310
H -3.205548 -4.650842 -1.192591
H -2.089522 -3.378292 -2.922896
H -0.643507 -3.322084 -1.850241
H -1.321968 -1.809709 -2.509562
H -2.268488 3.376745 2.354425
H 1.967719 1.781481 -1.983110
H 1.525745 2.808057 -0.589620
H 2.876714 2.584712 1.379048
H 2.473358 -0.812342 -1.292835
H 4.466052 1.282038 2.806449
H 4.073230 -2.121681 0.131771
H 5.073729 -1.077860 2.188982


