%chk=000260534.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260534

0 1
O -1.750548 -2.504771 -1.581736
O -3.407897 -1.188732 -0.372212
O -0.381488 -2.660443 1.600066
O 0.167588 -3.916491 -0.190644
O 4.944225 1.926117 0.496078
N -2.612602 1.430370 -1.075150
N 1.291496 -1.167514 -0.832848
C -0.308198 0.691806 -1.148803
C -1.418007 1.184272 -0.189119
C -1.864088 0.239967 0.949964
C -0.121269 -0.864911 -1.280308
C -1.105970 -1.797959 -0.519248
C -0.696925 1.309516 -2.527345
C -2.205179 -1.166880 0.396730
C 1.054606 1.166097 -0.695543
C -2.084908 1.958871 -2.371546
C -0.750917 0.100965 2.015750
C 1.951791 0.071348 -0.581529
C -3.125163 0.811067 1.579830
C -3.616899 2.294709 -0.383076
C -3.896840 1.726648 0.985167
C -0.346203 -2.917225 0.241799
C 1.488919 2.454410 -0.408754
C 2.024046 -2.148235 -1.675867
C -0.406537 1.404634 2.726604
C 3.282822 0.246116 -0.196958
C 2.810615 2.665064 -0.009452
C 3.681111 1.560974 0.093055
C 0.303716 -3.607393 2.461868
C 5.939435 0.885562 0.652693
H -1.066412 2.139931 0.288979
H -0.255274 -1.142337 -2.367997
H -0.715508 0.534363 -3.314389
H 0.054762 2.049559 -2.850928
H -2.450025 -1.865657 1.237031
H -2.016840 3.064074 -2.407358
H -2.780748 1.644758 -3.176223
H 0.163872 -0.315198 1.537940
H -1.051164 -0.664690 2.760580
H -3.367444 0.407827 2.561928
H -4.545981 2.286112 -0.998079
H -3.299899 3.357990 -0.289608
H -4.795679 2.117216 1.459735
H 0.810008 3.301865 -0.500826
H -2.756753 -2.494983 -1.460657
H 2.942211 -2.459508 -1.151386
H 2.294625 -1.765690 -2.670765
H 1.403525 -3.060410 -1.803987
H -3.456904 -0.365207 -0.964749
H 0.044138 2.132104 2.039073
H -1.286793 1.873821 3.179290
H 0.322290 1.228774 3.526953
H 3.955521 -0.596429 -0.114476
H 3.181631 3.658911 0.221376
H 0.054355 -4.634060 2.172048
H -0.079792 -3.356010 3.455038
H 1.380558 -3.431682 2.380714
H 6.129884 0.395936 -0.306472
H 5.625800 0.172650 1.420687
H 6.814604 1.460509 0.982461


%chk=000260534-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260534

0 1
O -1.862288 -2.190806 -1.897301
O -3.462892 -0.908597 -0.505869
O -0.490319 -3.086261 1.337807
O -0.477156 -4.245373 -0.669719
O 4.959245 2.403577 0.093098
N -2.599033 1.505662 -0.962216
N 1.329845 -1.007551 -0.411063
C -0.323594 0.606975 -1.219827
C -1.363912 1.146164 -0.161966
C -1.799456 0.194458 0.977432
C 0.021923 -0.936725 -1.138403
C -1.177299 -1.849499 -0.652642
C -0.974767 0.980287 -2.602199
C -2.266846 -1.149693 0.316104
C 1.040575 1.240629 -0.951795
C -2.098903 1.987228 -2.279197
C -0.682715 -0.058495 2.038254
C 1.937472 0.260657 -0.458852
C -2.991244 0.843652 1.689954
C -3.482829 2.427429 -0.206025
C -3.719441 1.871482 1.186336
C -0.687558 -3.185479 -0.044998
C 1.461448 2.575693 -1.069780
C 2.180217 -2.206745 -0.498753
C -0.125359 1.214037 2.715483
C 3.266751 0.584750 -0.097172
C 2.782591 2.933860 -0.714365
C 3.670871 1.938800 -0.231301
C -0.009012 -4.322063 2.002139
C 5.924552 1.427987 0.598727
H -0.944909 2.074197 0.282120
H 0.183402 -1.303332 -2.175952
H -1.402847 0.069625 -3.055176
H -0.226142 1.396284 -3.296039
H -2.554166 -1.865353 1.102453
H -1.702292 3.025448 -2.191780
H -2.911384 1.988862 -3.026637
H 0.145858 -0.627412 1.585632
H -1.120092 -0.721442 2.811814
H -3.232595 0.439760 2.683134
H -4.445374 2.523304 -0.745114
H -3.036751 3.450532 -0.150154
H -4.538305 2.314894 1.765628
H 0.779907 3.346959 -1.449260
H -2.823321 -1.905883 -1.715898
H 2.534603 -2.522099 0.501414
H 3.068003 -2.017801 -1.137658
H 1.621167 -3.043651 -0.943017
H -3.317610 0.072939 -0.874718
H 0.456927 1.834141 2.010389
H -0.929766 1.841448 3.142192
H 0.556537 0.933245 3.539131
H 3.946991 -0.181675 0.282664
H 3.146515 3.960718 -0.805763
H -0.739587 -5.136789 1.865199
H 0.091164 -4.050212 3.062376
H 0.959709 -4.632979 1.575178
H 6.125627 0.633589 -0.146971
H 5.576603 0.967150 1.544356
H 6.844563 2.001989 0.783967


