%chk=000250448.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250448

0 1
O -5.141453 1.468666 0.092451
O 3.087149 3.334618 1.504992
N -3.171990 1.898656 -0.999847
N 2.017373 3.326141 -0.520416
N -2.340564 -0.681290 -0.187576
N 2.542009 0.550382 -0.647455
N -4.359576 -2.624603 0.323341
N 4.417198 -0.571870 1.181800
C -0.969877 4.115029 -0.795517
C -2.387307 4.136101 -0.209118
C 0.047695 4.712675 0.182794
C -3.394064 3.364013 -1.075151
C 1.482363 4.701093 -0.367304
C -4.052555 1.084119 -0.304491
C 2.723446 2.727483 0.509179
C -3.628480 -0.360667 -0.129416
C 3.096578 1.268946 0.321716
C -2.002819 -2.012922 0.016574
C 2.912837 -0.785867 -0.745418
C -3.016948 -2.990413 0.268802
C 3.851940 -1.350103 0.174133
C -4.658171 -1.346978 0.135871
C 4.052065 0.699124 1.254995
C -0.627954 -2.410209 -0.022579
C 2.349764 -1.606153 -1.774952
C -2.641392 -4.356203 0.471163
C 4.211598 -2.729931 0.055991
C -0.303114 -3.727561 0.176501
C 2.715630 -2.925497 -1.859439
C -1.315302 -4.705188 0.423782
C 3.650562 -3.490190 -0.938781
H -0.680549 3.074179 -1.041071
H -0.950058 4.670954 -1.752827
H -2.735067 5.182382 -0.097343
H -2.382755 3.718765 0.819142
H 0.017030 4.163183 1.146990
H -0.231057 5.756269 0.431385
H -4.437939 3.593629 -0.745256
H -3.320100 3.669312 -2.143004
H 1.534474 5.203158 -1.358497
H 2.150261 5.271387 0.325884
H -2.225897 1.574992 -1.208417
H 1.646709 2.770442 -1.290513
H -5.711824 -1.028811 0.190303
H 4.479134 1.337377 2.046967
H 0.130313 -1.645459 -0.206851
H 1.641789 -1.154538 -2.472481
H -3.429826 -5.087438 0.662107
H 4.931583 -3.140375 0.767875
H 0.739087 -4.050244 0.152520
H 2.300534 -3.567476 -2.637989
H -1.009501 -5.741045 0.578260
H 3.915120 -4.543242 -1.047708


%chk=000250448-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250448

0 1
O -5.467805 1.452246 -0.004379
O 3.189066 3.428251 1.583219
N -3.283256 1.880955 -0.761355
N 2.035758 3.230945 -0.452362
N -2.553121 -0.675014 -0.307750
N 2.722095 0.618721 -0.655454
N -4.448781 -2.609207 0.666018
N 4.377525 -0.628906 1.343345
C -0.946964 3.938753 -0.749541
C -2.393849 4.168277 -0.254226
C 0.093630 4.766344 0.036319
C -3.449667 3.319755 -1.000375
C 1.540345 4.614089 -0.495492
C -4.281107 1.074921 -0.268632
C 2.803906 2.747462 0.578993
C -3.839826 -0.356465 -0.047149
C 3.180698 1.289289 0.423598
C -2.167116 -1.986869 -0.079610
C 3.085589 -0.715017 -0.771499
C -3.124698 -2.961303 0.411723
C 3.920061 -1.342283 0.237133
C -4.785547 -1.325924 0.438514
C 4.007521 0.662469 1.421544
C -0.816175 -2.383474 -0.322533
C 2.639140 -1.479426 -1.893554
C -2.701474 -4.305545 0.641986
C 4.281469 -2.716482 0.093476
C -0.429001 -3.704924 -0.085536
C 3.009548 -2.822197 -2.009995
C -1.373874 -4.668857 0.396870
C 3.832908 -3.442909 -1.013695
H -0.684202 2.864401 -0.657390
H -0.887145 4.192821 -1.829741
H -2.657127 5.237273 -0.385099
H -2.459219 3.952196 0.830066
H 0.073525 4.477164 1.104684
H -0.174236 5.841642 -0.009345
H -4.469679 3.577587 -0.665352
H -3.391730 3.527654 -2.089130
H 1.598138 4.973297 -1.541160
H 2.225828 5.223701 0.119334
H -2.380077 1.417938 -0.916226
H 1.802153 2.555958 -1.188947
H -5.815598 -1.014184 0.632340
H 4.348806 1.252648 2.276520
H -0.107955 -1.632671 -0.686815
H 2.018351 -0.984102 -2.647038
H -3.442666 -5.019982 1.012914
H 4.913016 -3.163470 0.867264
H 0.608372 -4.007320 -0.265730
H 2.673763 -3.408067 -2.872383
H -1.046584 -5.698514 0.576602
H 4.115368 -4.494845 -1.128865


