%chk=000231691.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231691

0 1
O 1.279599 -2.401438 1.889164
O -0.270543 -1.315645 3.064792
N -1.901939 2.468864 -0.044726
N 3.332631 0.546539 -0.400525
C -0.106891 -0.883200 0.621545
C -0.851471 0.446634 0.897596
C 1.196984 -0.655833 -0.171551
C -1.363885 1.111983 -0.390013
C 2.175479 0.308552 0.522940
C -1.057748 -1.860544 -0.068331
C 0.242640 -1.502023 1.985580
C -0.900913 -2.225143 -1.411722
C -2.142417 -2.383759 0.658909
C -1.900359 3.374457 -1.242226
C -3.273891 2.366827 0.558663
C 4.315162 -0.587990 -0.331969
C 3.998983 1.861009 -0.113755
C -1.805156 -3.106193 -2.015194
C -3.041716 -3.262927 0.054307
C -0.473602 3.830211 -1.552439
C -3.601844 3.647022 1.328564
C 5.194394 -0.592636 -1.583411
C 3.117735 3.013847 -0.596809
C -2.875439 -3.628638 -1.286030
H -0.183291 1.155107 1.432551
H -1.693708 0.269121 1.598878
H 1.698477 -1.633234 -0.342106
H 0.959844 -0.253774 -1.179300
H -0.516450 1.233252 -1.103670
H -2.109433 0.459570 -0.893101
H 2.482060 -0.095292 1.511368
H 1.661632 1.278940 0.719524
H -0.076851 -1.828906 -2.004792
H -2.288881 -2.103682 1.704462
H -2.356157 2.902791 -2.139292
H -2.521813 4.267144 -1.002864
H -4.062519 2.159349 -0.196118
H -3.280504 1.507067 1.267217
H 4.947365 -0.555907 0.581272
H 3.743399 -1.543378 -0.285504
H 4.246538 1.992455 0.961686
H 4.964855 1.885547 -0.667625
H -1.669859 -3.384566 -3.059410
H -3.875080 -3.664950 0.629029
H 1.483727 -2.836455 2.760574
H -0.463221 4.571608 -2.357018
H 0.168128 2.993343 -1.854662
H -0.009021 4.283361 -0.666366
H -2.792351 3.898256 2.028051
H -3.724345 4.507984 0.662060
H -4.523837 3.532892 1.906951
H 4.579210 -0.544718 -2.492313
H 5.871433 0.268468 -1.612898
H 5.801864 -1.501540 -1.633705
H 2.847044 2.881934 -1.652785
H 2.178149 3.075885 -0.032876
H 3.634569 3.973067 -0.496524
H -3.575968 -4.315714 -1.756155


%chk=000231691-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231691

0 1
O 1.399843 -2.368295 1.717558
O -0.069251 -1.153950 3.024314
N -2.117305 2.515141 0.038215
N 3.521272 0.450527 -0.495532
C -0.031646 -0.749766 0.558473
C -0.770277 0.588809 0.895350
C 1.214574 -0.506894 -0.343428
C -1.260035 1.361742 -0.347401
C 2.244208 0.473474 0.262266
C -1.033503 -1.762944 -0.071728
C 0.404952 -1.391567 1.890353
C -0.870256 -2.289862 -1.376755
C -2.168946 -2.169009 0.680973
C -2.021180 3.653488 -0.914027
C -3.524572 2.108199 0.307654
C 4.390520 -0.693874 -0.101663
C 4.237943 1.754245 -0.472876
C -1.818719 -3.187359 -1.919208
C -3.115109 -3.066092 0.142370
C -0.713603 4.454075 -0.759662
C -4.251294 3.060695 1.276198
C 5.349423 -1.134701 -1.223971
C 3.595482 2.807360 -1.395796
C -2.946510 -3.578993 -1.164759
H -0.107294 1.246010 1.486279
H -1.626705 0.366824 1.555296
H 1.712291 -1.472251 -0.538110
H 0.894719 -0.107261 -1.322562
H -0.389052 1.754573 -0.902812
H -1.794058 0.669157 -1.043597
H 2.409894 0.235306 1.344067
H 1.839596 1.500848 0.229914
H -0.003815 -2.009054 -1.981866
H -2.307448 -1.792380 1.701707
H -2.133846 3.311901 -1.975100
H -2.870167 4.332378 -0.714038
H -4.108346 2.014139 -0.643580
H -3.505101 1.097415 0.755609
H 4.974404 -0.454538 0.823737
H 3.733501 -1.543260 0.160463
H 4.317406 2.159560 0.568179
H 5.272778 1.573850 -0.816661
H -1.673185 -3.580145 -2.932035
H -3.980376 -3.367599 0.743604
H 1.583714 -2.791146 2.600005
H -0.692743 5.305632 -1.465526
H 0.177420 3.831546 -0.963661
H -0.627848 4.842013 0.270221
H -3.711352 3.107406 2.237722
H -4.317030 4.088104 0.874013
H -5.283165 2.708662 1.463865
H 4.775177 -1.430634 -2.119128
H 6.042329 -0.325372 -1.518105
H 5.961640 -1.995142 -0.894215
H 3.557637 2.428892 -2.432079
H 2.563390 3.054757 -1.085477
H 4.180411 3.746039 -1.379460
H -3.679990 -4.275679 -1.585689


