%chk=000004413.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004413

0 1
O 0.398423 0.015124 0.094294
O 1.008223 1.472620 -1.670462
N -8.347778 -1.232488 -0.104883
N -8.031734 1.109339 0.426266
N 6.738769 -0.789328 0.563096
N 9.051196 -0.595550 0.680926
N 7.785065 1.388698 0.526156
C -3.815363 0.616316 0.000858
C -3.242924 -0.700807 0.203515
C -5.234946 0.770489 0.005944
C -1.820971 -0.854399 0.193116
C -6.086128 -0.325500 0.199175
C -4.129595 -1.806841 0.416663
C -2.929840 1.728062 -0.198887
C -1.000713 0.254675 -0.009781
C -5.512924 -1.626260 0.413781
C -1.545299 1.564960 -0.204612
C -7.569759 -0.102301 0.180219
C 2.725263 0.295034 -0.381267
C 1.346028 0.680219 -0.745945
C 3.795364 0.818849 -1.157541
C 3.025448 -0.585222 0.697194
C 5.441260 -0.373573 0.242312
C 5.127384 0.495925 -0.856826
C 4.354551 -0.915246 0.997764
C 7.800900 -0.003350 0.571792
H -5.690601 1.756460 -0.134414
H -1.366211 -1.838334 0.346960
H -3.704462 -2.801797 0.593566
H -3.359882 2.724971 -0.347955
H -6.162023 -2.483782 0.626227
H -0.878734 2.413215 -0.368347
H 3.554147 1.474101 -2.001911
H 2.204440 -0.999673 1.288336
H 5.935893 0.870865 -1.495243
H 4.594554 -1.598458 1.818233
H -9.363346 -1.166277 -0.100282
H -7.928561 -2.090552 -0.455868
H -9.068088 1.179237 0.352532
H 9.069467 -1.611060 0.725478
H 9.904758 -0.067420 0.835206
H 8.631778 1.949196 0.568425
H 6.887467 1.866865 0.493991


%chk=000004413-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004413

0 1
O 0.399597 0.014547 0.097017
O 1.013211 1.461198 -1.661118
N -8.347055 -1.233215 -0.100493
N -8.030267 1.113619 0.407068
N 6.741132 -0.794550 0.559571
N 9.062424 -0.581815 0.600440
N 7.775343 1.389769 0.599472
C -3.813932 0.616303 -0.003869
C -3.241923 -0.699615 0.207480
C -5.233484 0.770606 -0.001849
C -1.819992 -0.853331 0.199821
C -6.085086 -0.324143 0.196597
C -4.128968 -1.804293 0.425910
C -2.928015 1.726757 -0.209072
C -0.999570 0.254432 -0.009062
C -5.512270 -1.623621 0.419858
C -1.543511 1.563536 -0.212308
C -7.568668 -0.100662 0.173818
C 2.726286 0.293017 -0.377165
C 1.347319 0.676867 -0.742224
C 3.795666 0.813991 -1.157035
C 3.026768 -0.582318 0.704781
C 5.441033 -0.375031 0.244137
C 5.127487 0.491085 -0.856925
C 4.356484 -0.912013 1.004716
C 7.798997 -0.003412 0.570136
H -5.688978 1.755668 -0.148941
H -1.365440 -1.836355 0.360058
H -3.704206 -2.798239 0.609244
H -3.357736 2.722805 -0.364593
H -6.161578 -2.479967 0.636381
H -0.876722 2.410736 -0.380463
H 3.553480 1.467052 -2.002764
H 2.206369 -0.994086 1.298578
H 5.937178 0.868125 -1.492221
H 4.597120 -1.592598 1.827165
H -9.362571 -1.166097 -0.098117
H -7.928182 -2.095048 -0.442518
H -9.066499 1.183341 0.331814
H 9.087839 -1.598571 0.567910
H 9.874238 -0.079617 0.951512
H 8.611047 1.948643 0.449042
H 6.876132 1.863503 0.646011


