%chk=000259942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259942

0 1
O 6.827673 2.433128 -0.055082
O 5.127959 -3.871101 -0.401843
O -5.497603 -1.613109 1.128606
N 4.407250 -0.269757 0.382141
N -5.291748 0.459565 0.134014
C 0.707017 -0.452407 0.438166
C -0.539857 -1.206364 0.843905
C 0.352791 0.792447 -0.169376
C -1.653444 -0.280082 0.410223
C -1.107350 0.899873 -0.187992
C 3.044678 0.050708 0.133661
C 2.024795 -0.832277 0.590049
C 1.348351 1.648715 -0.615467
C -3.016618 -0.462285 0.532337
C 2.690933 1.277878 -0.466979
C -1.950931 1.893768 -0.661345
C 5.468217 0.542395 -0.270341
C 4.777884 -1.689285 0.595611
C -3.865433 0.558805 0.045572
C -3.338628 1.723180 -0.544736
C 5.907745 1.636464 0.720008
C 4.676793 -2.542744 -0.684880
C -6.026530 -0.624578 0.661754
C -7.534805 -0.435530 0.612131
C -8.070826 -0.613081 -0.801920
H -0.609972 -2.192782 0.347227
H -0.569919 -1.400607 1.933431
H 2.274805 -1.774146 1.067643
H 1.096900 2.600892 -1.079681
H -3.433815 -1.364835 0.989286
H 3.458978 1.960416 -0.825273
H -1.550143 2.796051 -1.118169
H 5.127816 1.016993 -1.220559
H 6.347448 -0.078964 -0.549586
H 4.131823 -2.116036 1.397039
H 5.816498 -1.736671 0.996806
H -3.996666 2.503655 -0.916349
H 5.063964 2.267853 1.049865
H 6.430207 1.220327 1.597517
H 3.652136 -2.564975 -1.094784
H 5.377713 -2.204436 -1.471473
H -5.810746 1.248109 -0.257717
H -7.831748 0.545844 1.030859
H -7.991311 -1.194383 1.288392
H 7.184008 3.159132 0.489560
H 4.476604 -4.345972 0.151333
H -7.698255 0.153408 -1.490851
H -9.167351 -0.561150 -0.814805
H -7.790085 -1.591748 -1.217229


%chk=000259942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259942

0 1
O 7.069687 2.335034 0.333282
O 5.378232 -4.009900 -0.113435
O -5.691798 -1.593539 0.661551
N 4.455820 -0.320718 0.050066
N -5.325229 0.636973 0.020627
C 0.710918 -0.429503 0.162270
C -0.561333 -1.234904 0.414107
C 0.370519 0.907860 -0.203667
C -1.668857 -0.216086 0.159598
C -1.093520 1.040870 -0.204135
C 3.105707 0.073575 -0.035875
C 2.044017 -0.850835 0.240548
C 1.405897 1.824007 -0.488697
C -3.056209 -0.398229 0.246226
C 2.750799 1.414952 -0.400879
C -1.938455 2.137734 -0.487373
C 5.551043 0.594074 -0.309630
C 4.843464 -1.659057 0.521975
C -3.901052 0.712821 -0.038775
C -3.335063 1.967671 -0.402705
C 5.969932 1.511146 0.856810
C 4.865066 -2.722826 -0.606162
C -6.137434 -0.444931 0.359945
C -7.641452 -0.130098 0.368916
C -8.467898 -1.283357 -0.240587
H -0.643730 -2.106266 -0.264888
H -0.603036 -1.634711 1.446292
H 2.262018 -1.890307 0.504559
H 1.180051 2.858241 -0.773420
H -3.505821 -1.354313 0.521430
H 3.531375 2.150010 -0.615573
H -1.524805 3.112125 -0.769469
H 5.276147 1.217202 -1.178975
H 6.432064 0.001796 -0.615485
H 4.171609 -1.988947 1.339442
H 5.859121 -1.608818 0.955680
H -3.998129 2.815789 -0.620069
H 5.112516 2.136568 1.179431
H 6.302747 0.895016 1.719428
H 3.861142 -2.831430 -1.064503
H 5.574600 -2.422869 -1.394658
H -5.814659 1.503784 -0.213891
H -7.856872 0.822617 -0.153845
H -7.940593 0.010641 1.426988
H 7.376731 2.966273 1.030406
H 4.716000 -4.413848 0.502273
H -8.272305 -1.387593 -1.322694
H -9.549037 -1.109347 -0.097745
H -8.192733 -2.234040 0.245979


