%chk=000215267.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215267

0 1
O 0.270166 -1.023755 -1.336588
N 1.178105 1.601233 -0.128681
N -0.692206 -1.173370 0.723876
C 1.331771 0.239558 0.492242
C 2.332252 2.500609 0.168257
C -0.142151 2.217607 0.243750
C 2.701855 -0.351239 0.217479
C 0.273901 -0.678436 -0.171858
C -1.864358 -1.918327 0.198819
C 2.561181 2.851391 1.640488
C -0.425292 3.432389 -0.640838
C 3.134494 -0.560750 -1.101085
C 3.536384 -0.697312 1.289689
C -3.026960 -0.986046 -0.050368
C 4.396643 -1.106479 -1.342845
C 4.798941 -1.244530 1.041006
C -4.137137 -0.915709 0.812066
C 5.231401 -1.447530 -0.272927
C -2.974007 -0.161000 -1.185347
C -5.180532 -0.021971 0.514948
C -4.238738 -1.774589 2.032787
C -4.012964 0.725384 -1.469586
C -5.119724 0.792382 -0.616703
H 1.167383 0.275758 1.602970
H 2.175843 3.431452 -0.423131
H 3.248391 2.026639 -0.254086
H -0.195168 2.505272 1.315849
H -0.946168 1.466377 0.067950
H -0.818917 -0.756285 1.639189
H -2.115373 -2.729305 0.916013
H -1.570810 -2.427593 -0.755769
H 3.383718 3.568570 1.743907
H 2.829958 1.968933 2.230940
H 1.675377 3.305619 2.096738
H -1.470339 3.746667 -0.546165
H -0.244064 3.195473 -1.699412
H 0.207853 4.288689 -0.385245
H 2.463062 -0.305198 -1.928862
H 3.209332 -0.546491 2.315745
H 4.728082 -1.270248 -2.366975
H 5.445237 -1.514020 1.873909
H 6.214239 -1.873514 -0.463520
H -2.104097 -0.218393 -1.848440
H -6.045865 0.035326 1.172337
H -5.103151 -1.514648 2.658671
H -3.348668 -1.687970 2.669555
H -4.353067 -2.834593 1.761667
H -3.962636 1.358601 -2.352917
H -5.935381 1.479274 -0.836095


%chk=000215267-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215267

0 1
O 0.117945 -0.383550 -1.660177
N 1.473357 1.871087 -0.289682
N -0.710293 -0.882994 0.454506
C 1.308367 0.535047 0.329309
C 2.633377 2.640391 0.236428
C 0.198980 2.635642 -0.356146
C 2.588408 -0.302729 0.256125
C 0.183321 -0.262970 -0.400829
C -1.809085 -1.741246 -0.040179
C 2.533824 3.123266 1.709679
C 0.307199 3.924923 -1.190479
C 3.219173 -0.517343 -0.996122
C 3.133218 -0.896628 1.419073
C -3.167830 -1.042044 -0.023521
C 4.382994 -1.311091 -1.075741
C 4.298557 -1.694262 1.339474
C -4.151219 -1.316012 0.973209
C 4.926998 -1.902327 0.090616
C -3.438782 -0.082074 -1.032607
C -5.380834 -0.608591 0.924520
C -3.924074 -2.346162 2.071503
C -4.665762 0.613368 -1.067236
C -5.643048 0.348080 -0.080969
H 1.009367 0.609713 1.411331
H 2.779720 3.513399 -0.423876
H 3.533042 2.011120 0.121172
H -0.196341 2.883336 0.662563
H -0.549181 1.980524 -0.836636
H -0.653607 -0.683646 1.454950
H -1.824172 -2.668908 0.557761
H -1.533180 -2.003964 -1.076425
H 3.442349 3.693825 1.977586
H 2.456363 2.273869 2.413291
H 1.662243 3.784485 1.868702
H -0.699500 4.356910 -1.338243
H 0.737742 3.699171 -2.182006
H 0.930332 4.696827 -0.704291
H 2.777881 -0.059289 -1.887248
H 2.650545 -0.730263 2.391177
H 4.864795 -1.474648 -2.046495
H 4.715537 -2.146414 2.246615
H 5.830918 -2.518817 0.025723
H -2.672703 0.109100 -1.794029
H -6.142785 -0.814924 1.686325
H -4.770537 -2.352676 2.779004
H -3.006304 -2.143349 2.655631
H -3.827308 -3.369738 1.661550
H -4.860178 1.348157 -1.856309
H -6.602031 0.878320 -0.095173


