%chk=000231864.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231864

0 1
O 3.572003 -0.747868 -0.490333
O -3.193160 -1.533005 0.779700
N 1.408294 -0.373515 0.216826
N -1.364848 -0.724834 -0.359664
C 0.883262 -1.696640 0.038604
C -0.512822 -1.871011 -0.185567
C 1.180792 -4.112506 -0.000625
C 1.716689 -2.819964 0.101042
C -1.040469 -3.168621 -0.251419
C -0.202596 -4.279544 -0.157646
C 2.090269 -5.294388 0.077222
C 2.742079 0.011170 -0.034264
C -2.683673 -0.646641 0.124048
C 3.005703 1.452202 0.291017
C -3.366023 0.643336 -0.226339
C 3.441139 2.304156 -0.732133
C 2.863804 1.927377 1.600934
C -3.835465 1.458288 0.811867
C -3.570813 1.006364 -1.563438
C 3.718872 3.643357 -0.443437
C 3.147975 3.266380 1.883313
C -4.497040 2.651486 0.507734
C -4.237289 2.198523 -1.860449
C 3.571359 4.124011 0.861955
C -4.696370 3.021829 -0.826417
H 2.796645 -2.687276 0.223148
H -2.120014 -3.305703 -0.365326
H -0.631291 -5.278584 -0.210486
H 0.762640 0.312337 0.614569
H -0.991943 0.020785 -0.947035
H 1.588300 -6.235874 -0.179563
H 2.947354 -5.188671 -0.604517
H 2.498955 -5.410389 1.092206
H 3.571811 1.918693 -1.744713
H 2.547177 1.256107 2.399430
H -3.693686 1.154117 1.850335
H -3.226590 0.358415 -2.369411
H 4.056953 4.310338 -1.235680
H 3.043457 3.640604 2.900970
H -4.863351 3.288918 1.311587
H -4.402919 2.483806 -2.898522
H 3.791627 5.167762 1.085178
H -5.215197 3.950970 -1.061102


%chk=000231864-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231864

0 1
O 3.570537 -0.690081 -0.812579
O -3.117595 -1.403982 1.204505
N 1.408090 -0.429327 0.062699
N -1.331885 -0.758866 -0.170377
C 0.907688 -1.761450 -0.032151
C -0.512366 -1.928584 -0.059938
C 1.202857 -4.203019 -0.045037
C 1.749937 -2.897617 -0.056246
C -1.058828 -3.229796 -0.018921
C -0.206780 -4.352624 -0.006569
C 2.121063 -5.412726 -0.049202
C 2.690571 0.032546 -0.252371
C -2.603776 -0.579377 0.390662
C 2.951319 1.477759 0.093467
C -3.310692 0.690688 -0.013857
C 3.993098 2.133926 -0.611707
C 2.239268 2.189713 1.096002
C -4.320616 1.174234 0.857634
C -3.040796 1.394340 -1.218313
C 4.299692 3.483078 -0.342354
C 2.550634 3.539972 1.368460
C -5.028053 2.353307 0.547785
C -3.753528 2.573068 -1.530186
C 3.575700 4.192563 0.645519
C -4.742994 3.059761 -0.645132
H 2.831738 -2.749965 -0.085248
H -2.143602 -3.352061 0.003266
H -0.644120 -5.357009 0.019145
H 0.758571 0.252420 0.463696
H -0.990493 -0.021435 -0.792620
H 1.555349 -6.348631 -0.196201
H 2.877340 -5.340236 -0.851910
H 2.671306 -5.500457 0.907112
H 4.550597 1.559925 -1.358985
H 1.473341 1.695911 1.707452
H -4.535256 0.601783 1.765942
H -2.314212 1.012996 -1.947172
H 5.102134 3.980941 -0.897385
H 2.003436 4.076889 2.150841
H -5.801592 2.720627 1.230781
H -3.546364 3.102715 -2.466333
H 3.815595 5.240092 0.858442
H -5.294711 3.974286 -0.889019


