%chk=000267653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267653

0 1
O -2.397703 2.064491 -2.202684
O 6.348657 -0.640986 2.135859
O 5.910325 1.523125 2.453170
N -3.464920 -1.840314 0.490421
N -1.520088 -0.454790 -1.136562
N 1.381003 -0.332285 -1.807017
N -4.785877 0.170442 0.536829
N -4.253906 2.075424 -0.863752
N -6.291899 2.033855 0.374602
C 0.025235 -2.341931 -1.073689
C -1.309504 -1.696011 -0.826101
C -2.370222 -2.594585 -0.193425
C 0.859320 -1.663566 -2.182574
C -3.642474 -0.498753 0.053395
C -2.763685 0.126172 -0.814149
C 2.389704 -0.189085 -0.853253
C -3.052381 1.466521 -1.391261
C -5.052213 1.473576 -0.020839
C 2.605944 1.102067 -0.291291
C 3.249939 -1.258683 -0.493084
C 3.653800 1.305858 0.587377
C 4.297303 -1.035228 0.389089
C 4.508851 0.239469 0.944884
C 5.595293 0.498373 1.885270
H -0.113458 -3.410150 -1.340709
H 0.603883 -2.337871 -0.121123
H -2.854446 -3.194325 -1.006818
H -1.919394 -3.321682 0.514287
H 1.705501 -2.329778 -2.467457
H 0.233386 -1.525874 -3.097259
H -3.469580 -1.963559 1.507189
H 0.666009 0.409869 -1.848763
H -5.511955 -0.352179 1.027441
H 1.950621 1.928037 -0.562089
H 3.108380 -2.245014 -0.922812
H 3.830905 2.295574 1.021045
H 4.970342 -1.853292 0.664812
H -6.503156 2.010620 1.365859
H -6.464641 2.961418 -0.023172
H 7.089505 -0.459149 2.770056


%chk=000267653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267653

0 1
O -2.483055 1.857131 -2.560617
O 6.401614 -0.500050 2.208100
O 5.772254 1.713275 2.529853
N -3.304656 -1.750337 0.553733
N -1.580806 -0.612426 -1.348966
N 1.268706 -0.405840 -1.683773
N -4.624291 0.252215 0.567990
N -4.189601 2.069412 -0.961712
N -5.905488 2.243748 0.625724
C -0.036882 -2.521343 -1.251149
C -1.364805 -1.848829 -0.969906
C -2.459551 -2.662690 -0.249412
C 0.855823 -1.702197 -2.223294
C -3.572194 -0.494191 0.029386
C -2.787184 0.034541 -0.997994
C 2.315173 -0.206929 -0.798832
C -3.116485 1.354828 -1.590879
C -4.866762 1.541268 0.038336
C 2.490005 1.088411 -0.205201
C 3.249491 -1.238686 -0.456157
C 3.541574 1.333323 0.681723
C 4.304365 -0.979211 0.431469
C 4.468971 0.304248 1.019568
C 5.554697 0.609200 1.961323
H -0.220565 -3.532010 -1.676465
H 0.506975 -2.686922 -0.296766
H -3.075857 -3.202875 -1.001968
H -2.008484 -3.420056 0.414385
H 1.743888 -2.295995 -2.502817
H 0.283788 -1.508733 -3.147375
H -3.468528 -1.946464 1.542154
H 0.531424 0.305242 -1.737296
H -5.312026 -0.205218 1.170746
H 1.787560 1.889883 -0.463561
H 3.151713 -2.239130 -0.889318
H 3.672987 2.322711 1.132774
H 5.015891 -1.770463 0.685882
H -6.303523 1.999161 1.529053
H -6.098039 3.160590 0.227472
H 7.104290 -0.202790 2.845493


