%chk=000194370.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194370

0 1
O -4.665635 0.238692 -1.041895
N -2.291820 -0.260380 0.470962
N 0.485296 1.483631 1.632841
N 1.695013 1.912019 1.321133
N 3.876902 1.700675 0.453057
N 4.300010 1.831461 -0.913215
C -2.456643 1.011342 -0.308942
C -3.632607 -0.737574 0.952018
C -1.374548 -0.060449 1.643083
C -3.391950 0.742593 -1.496927
C -4.531405 -0.972476 -0.273098
C 0.015929 0.308847 1.180831
C 0.822738 -0.549081 0.340594
C 2.140846 -0.114396 0.024933
C 0.359851 -1.795638 -0.171235
C 2.538307 1.171032 0.557553
C 2.979972 -0.954460 -0.761792
C 1.186276 -2.580627 -0.940963
C 2.512001 -2.160022 -1.232074
H -1.457184 1.327539 -0.680364
H -2.851694 1.848035 0.307195
H -4.125057 -0.020933 1.644760
H -3.492593 -1.690171 1.504440
H -1.318180 -1.021119 2.207430
H -1.748098 0.708621 2.363316
H -3.678987 1.671633 -2.019896
H -2.954824 0.019687 -2.208008
H -4.134382 -1.770617 -0.924838
H -5.575350 -1.190947 0.011929
H -0.668161 -2.102354 0.041465
H 3.996399 -0.630335 -0.985181
H 0.836179 -3.533276 -1.338052
H 3.149565 -2.805869 -1.834876
H 3.943208 2.597566 0.980744
H 5.209800 1.360136 -0.989142
H 4.445723 2.811713 -1.170588


%chk=000194370-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194370

0 1
O -4.857389 0.115988 -0.958752
N -2.359770 -0.214299 0.488350
N 0.453144 1.596637 1.552198
N 1.720304 2.041958 1.229056
N 3.779825 1.915796 0.289796
N 4.865945 1.446622 -0.463389
C -2.638276 1.019609 -0.294553
C -3.630699 -0.787429 1.003939
C -1.371498 0.008122 1.580645
C -3.593207 0.693457 -1.452223
C -4.573893 -1.094034 -0.170595
C 0.009435 0.402395 1.087398
C 0.818317 -0.445397 0.239863
C 2.157447 -0.011123 -0.093807
C 0.344514 -1.696498 -0.268674
C 2.552108 1.276787 0.452899
C 2.979912 -0.848000 -0.912302
C 1.170455 -2.498795 -1.062700
C 2.493635 -2.073267 -1.383969
H -1.687799 1.416257 -0.695315
H -3.091928 1.812407 0.350467
H -4.141122 -0.085792 1.710811
H -3.409602 -1.723082 1.553682
H -1.305164 -0.939249 2.153613
H -1.695274 0.808147 2.286974
H -3.882285 1.606055 -1.999065
H -3.103564 -0.021507 -2.148524
H -4.111373 -1.866255 -0.823693
H -5.554574 -1.449414 0.187210
H -0.688947 -1.983273 -0.055752
H 3.986669 -0.500738 -1.152794
H 0.798639 -3.455057 -1.447846
H 3.132381 -2.707486 -2.008919
H 3.821641 2.820658 0.777561
H 5.691425 1.211871 0.097271
H 5.065468 2.002427 -1.301664


