%chk=000215965.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215965

0 1
O -2.436165 -2.583540 -0.004907
O -4.390312 1.596439 -0.003741
N 0.379318 1.152912 -0.000585
N -2.095803 1.542015 -0.001966
N -3.407218 -0.508204 -0.003315
C -0.998537 -0.664583 -0.002388
C -0.945653 0.750555 -0.001513
C 0.360481 -1.143734 -0.001722
C 1.191206 -0.028010 -0.000667
C -2.241965 -1.386740 -0.003858
C -3.388408 0.904515 -0.002456
C 2.649359 0.082521 0.000275
C 0.757175 -2.561980 -0.002078
C -2.016811 3.019209 -0.000600
C -4.762037 -1.127184 -0.002070
C 3.350077 0.132103 -1.215227
C 3.348625 0.130623 1.216673
C 4.743714 0.232526 -1.210027
C 4.742267 0.231059 1.213257
C 5.440142 0.283451 0.002062
H 0.734924 2.090000 0.000058
H 0.344059 -3.088860 -0.879443
H 1.846271 -2.700862 -0.004689
H 0.348495 -3.088013 0.877843
H -1.503712 3.388523 -0.903544
H -1.504720 3.387002 0.903519
H -3.044656 3.445896 -0.000858
H -5.341033 -0.793536 -0.879787
H -5.315748 -0.844430 0.909048
H -4.667064 -2.229855 -0.034211
H 2.805201 0.084316 -2.157215
H 2.802625 0.081695 2.157949
H 5.288450 0.268502 -2.152378
H 5.285879 0.265890 2.156299
H 6.526174 0.360882 0.002759


%chk=000215965-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215965

0 1
O -2.495329 -2.640787 -0.004611
O -4.442677 1.648711 0.000262
N 0.334501 1.094166 -0.000168
N -2.101293 1.522433 -0.001413
N -3.442735 -0.473821 -0.003563
C -1.031451 -0.705788 -0.002570
C -0.985594 0.700186 -0.001485
C 0.336841 -1.193816 -0.001950
C 1.164852 -0.068011 -0.000711
C -2.306094 -1.387983 -0.003994
C -3.396543 0.934437 -0.002288
C 2.646361 0.071174 0.000110
C 0.771164 -2.635124 -0.002467
C -1.984842 2.988198 0.000474
C -4.800503 -1.064701 -0.003413
C 3.368504 0.141532 -1.221963
C 3.367283 0.140212 1.222974
C 4.774937 0.279945 -1.221977
C 4.773713 0.278638 1.224532
C 5.480715 0.350624 0.001668
H 0.691383 2.048199 0.000872
H 0.374900 -3.168598 -0.885032
H 1.871875 -2.714448 -0.004425
H 0.378324 -3.168285 0.881868
H -1.454828 3.343231 -0.903290
H -1.455608 3.341053 0.905554
H -3.006760 3.396262 0.000528
H -5.364420 -0.722038 -0.886420
H -5.351729 -0.755119 0.900007
H -4.676311 -2.157212 -0.022426
H 2.821292 0.075805 -2.169434
H 2.819137 0.073468 2.169834
H 5.318075 0.327753 -2.172418
H 5.315907 0.325437 2.175561
H 6.571553 0.455369 0.002271


