%chk=000258634.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258634

0 1
O 0.694608 -2.667323 0.060910
O -0.694635 2.667358 -0.060742
N 2.201196 -1.396567 1.219681
N -2.201141 1.396605 -1.219625
C 3.240591 -2.455662 1.097738
C -3.240582 2.455653 -1.097652
C 4.196748 -2.159068 -0.068381
C -4.196706 2.159004 0.068481
C 2.770262 -0.049683 1.482055
C -2.770141 0.049703 -1.481999
C 4.622349 -0.718510 -0.131294
C -4.622274 0.718436 0.131344
C 3.927813 0.284352 0.569665
C -3.927703 -0.284385 -0.569641
C 0.994162 -1.577082 0.522032
C -0.994124 1.577142 -0.521962
C 5.716522 -0.364028 -0.936881
C -5.716447 0.363899 0.936907
C 4.329280 1.623068 0.454363
C -4.329143 -1.623114 -0.454392
C 0.037489 -0.425118 0.509864
C -0.037443 0.425190 -0.509787
C 6.113621 0.969763 -1.043327
C -6.113517 -0.969905 1.043301
C 5.418401 1.965587 -0.348826
C -5.418268 -1.965687 0.348770
H 2.740583 -3.442340 0.949908
H 3.794831 -2.503764 2.060622
H -3.794841 2.503739 -2.060525
H -2.740617 3.442351 -0.949821
H 3.702284 -2.425493 -1.029852
H 5.080923 -2.824454 0.004882
H -5.080895 2.824375 -0.004736
H -3.702225 2.425401 1.029949
H 3.126725 -0.036292 2.542602
H 1.977537 0.731044 1.413366
H -1.977371 -0.730975 -1.413265
H -3.126560 0.036285 -2.542560
H 6.258848 -1.133465 -1.483603
H -6.258795 1.133304 1.483654
H 3.787925 2.403000 0.989559
H -3.787765 -2.403015 -0.989609
H -0.618486 -0.381656 1.384928
H 0.618520 0.381719 -1.384859
H 6.964053 1.235409 -1.669121
H -6.963947 -1.235592 1.669078
H 5.724161 3.006568 -0.435592
H -5.724005 -3.006678 0.435493


%chk=000258634-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258634

0 1
O 1.094761 -2.304084 0.075949
O -1.093901 2.302072 -0.075616
N 2.921782 -0.890799 0.412209
N -2.921251 0.889404 -0.411903
C 3.816338 -2.056242 0.584221
C -3.815024 2.055363 -0.584453
C 4.986078 -1.977469 -0.414396
C -4.985003 1.977701 0.413973
C 3.532123 0.453275 0.535309
C -3.532547 -0.454280 -0.534825
C 5.727244 -0.658849 -0.255153
C -5.727047 0.659564 0.254948
C 5.030096 0.478978 0.229156
C -5.030596 -0.478858 -0.228944
C 1.561553 -1.120012 0.199378
C -1.560895 1.118099 -0.199149
C 7.109002 -0.546470 -0.551462
C -7.108925 0.548215 0.551082
C 5.724756 1.700486 0.412378
C -5.726060 -1.699949 -0.411927
C 0.661472 0.074264 0.140670
C -0.660908 -0.076266 -0.140371
C 7.794573 0.674178 -0.379548
C -7.795304 -0.672009 0.379389
C 7.097545 1.805205 0.108301
C -7.098970 -1.803644 -0.108046
H 3.200336 -2.955625 0.428422
H 4.208851 -2.067399 1.621465
H -4.207330 2.066436 -1.621775
H -3.198446 2.954390 -0.428857
H 4.584933 -2.078957 -1.442105
H 5.675288 -2.826838 -0.250444
H -5.673590 2.827501 0.249626
H -4.584003 2.079210 1.441737
H 3.365139 0.861079 1.555487
H 3.033027 1.139273 -0.172655
H -3.034182 -1.140536 0.173367
H -3.365668 -0.862400 -1.554895
H 7.648443 -1.429222 -0.916646
H -7.647816 1.431434 0.915950
H 5.184667 2.576952 0.793357
H -5.186504 -2.576896 -0.792553
H 1.028000 1.086123 0.343861
H -1.027373 -1.088131 -0.343553
H 8.862342 0.743739 -0.614749
H -8.863154 -0.740781 0.614449
H 7.620700 2.756675 0.253075
H -7.622750 -2.754800 -0.252631


