%chk=000257013.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257013

0 1
O -1.662768 -2.806615 0.369538
O 2.275997 1.991726 -0.091253
O 1.081176 2.730136 1.677450
N 0.315941 -1.708150 0.073588
C 1.099801 -0.568056 0.167255
C -1.577098 -0.515030 1.105646
C 0.560807 0.588202 0.712912
C -3.001969 -0.538857 1.581131
C -1.073151 -1.752289 0.519297
C -0.792222 0.593818 1.191747
C 2.508328 -0.665931 -0.302458
C -3.946112 -0.150397 0.470426
C 0.887551 -2.952635 -0.504039
C 1.289676 1.859590 0.859237
C 3.517687 -1.010787 0.608279
C 2.817600 -0.416855 -1.647386
C -4.258428 -1.080251 -0.534006
C -4.514703 1.130293 0.435011
C 4.839185 -1.112245 0.165856
C 4.142472 -0.521456 -2.080047
C -5.136601 -0.729999 -1.560906
C -5.394225 1.474906 -0.596269
C 5.151374 -0.870821 -1.176398
C -5.707517 0.547533 -1.593981
C 3.073730 3.219319 -0.079092
C 2.285301 4.351633 -0.703031
H -3.126801 0.126165 2.461012
H -3.260914 -1.559194 1.951451
H -1.170499 1.524748 1.632848
H 0.124624 -3.760657 -0.482650
H 1.761048 -3.294144 0.075410
H 1.188740 -2.800102 -1.553568
H 3.273964 -1.189552 1.655284
H 2.031555 -0.124356 -2.343617
H -3.805835 -2.074787 -0.507845
H -4.274431 1.858673 1.205960
H 5.627461 -1.376786 0.869738
H 4.388583 -0.325516 -3.122991
H -5.378062 -1.453543 -2.337588
H -5.835362 2.469652 -0.620417
H 6.182906 -0.951526 -1.517465
H -6.392805 0.817295 -2.393951
H 3.374143 3.433569 0.961873
H 3.941816 2.902706 -0.685445
H 2.906687 5.242254 -0.849277
H 1.870023 4.065501 -1.677580
H 1.437229 4.641122 -0.062991


%chk=000257013-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257013

0 1
O -1.705791 -2.837011 0.326360
O 2.430060 2.054715 0.143286
O 0.795400 2.874492 1.585756
N 0.324321 -1.672853 0.031649
C 1.109531 -0.524738 0.125399
C -1.588904 -0.542852 1.097534
C 0.558629 0.629675 0.710970
C -3.031554 -0.583532 1.581820
C -1.054602 -1.751403 0.476402
C -0.792500 0.581801 1.206283
C 2.521527 -0.641680 -0.369824
C -4.035460 -0.215994 0.483249
C 0.882146 -2.928379 -0.540589
C 1.249023 1.938307 0.872733
C 3.572265 -0.877396 0.551489
C 2.816490 -0.551093 -1.752401
C -4.413109 -1.167660 -0.500187
C -4.594428 1.085950 0.424918
C 4.901925 -1.015365 0.096130
C 4.146477 -0.684898 -2.206768
C -5.326615 -0.819335 -1.520315
C -5.509089 1.435332 -0.595250
C 5.193163 -0.919604 -1.284433
C -5.877922 0.482772 -1.572822
C 3.152120 3.359633 0.253550
C 2.596240 4.373409 -0.750646
H -3.143394 0.115482 2.430379
H -3.245242 -1.604956 1.945034
H -1.178548 1.493903 1.673964
H 0.132597 -3.715142 -0.370752
H 1.832971 -3.183481 -0.048222
H 1.056898 -2.820348 -1.623380
H 3.348554 -0.941719 1.622388
H 2.010389 -0.352715 -2.467940
H -3.979148 -2.172967 -0.457824
H -4.315877 1.828896 1.183320
H 5.707530 -1.195173 0.816590
H 4.365831 -0.603723 -3.277123
H -5.611346 -1.564898 -2.271866
H -5.935417 2.444847 -0.623755
H 6.224736 -1.025675 -1.638140
H -6.589017 0.750589 -2.362720
H 3.057580 3.728577 1.289938
H 4.198055 3.090521 0.035302
H 3.203272 5.297553 -0.721872
H 2.631595 3.968909 -1.777023
H 1.554541 4.637530 -0.503895


