%chk=000259825.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259825

0 1
O 0.851188 -0.968961 -0.559341
O 0.848665 1.656723 1.544178
O -0.070131 1.791988 -1.828219
O 4.885060 -1.657274 -1.223641
O 1.452110 3.808139 1.188745
O -2.299561 1.914679 -2.168482
O -4.961607 -2.043903 3.010264
O 6.015760 -0.410959 0.289121
N -1.332766 -0.959713 0.269147
N -2.013241 -2.231193 2.054471
N -3.566842 0.155586 -0.195924
N -5.320012 -0.534394 1.312145
C 1.108788 1.322415 0.163468
C -0.256588 1.156799 -0.538455
C 1.747035 -0.085743 0.201537
C -0.428335 -0.375089 -0.748754
C 3.095879 -0.164655 -0.496367
C 3.670020 -1.579663 -0.427896
C -2.692807 -0.691912 0.481097
C -0.972354 -1.925353 1.280546
C -3.098164 -1.481867 1.588051
C 1.070723 2.972097 1.965868
C -1.183425 2.186349 -2.549010
C -4.482245 -1.443778 2.086488
C 0.754124 3.045492 3.410865
C -0.740040 2.916763 -3.758045
C -4.908244 0.166822 0.303022
C 6.024818 -1.042759 -0.740371
C 7.145189 -1.304826 -1.681915
H 1.733495 2.110677 -0.319970
H -1.090895 1.644035 0.009528
H 1.765382 -0.488372 1.240749
H -0.746888 -0.669520 -1.777951
H 3.007628 0.144203 -1.559746
H 3.812008 0.548311 -0.025305
H 3.025348 -2.324047 -0.935588
H 3.901101 -1.894423 0.604648
H 0.029563 -2.325145 1.333378
H -3.267097 0.721493 -0.996253
H 0.021546 3.844489 3.616813
H 1.657626 3.277109 4.001436
H 0.337131 2.101676 3.807215
H 0.356942 2.908830 -3.886704
H -1.190220 2.489589 -4.670933
H -1.053618 3.975922 -3.713701
H -5.586320 0.838815 -0.249006
H 7.946069 -1.876437 -1.184294
H 7.593602 -0.361279 -2.031813
H 6.828201 -1.878835 -2.568097


%chk=000259825-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259825

0 1
O 0.950899 -1.093548 -0.093443
O 0.769841 1.332200 1.933929
O 0.385337 1.522081 -1.749678
O 4.867760 -1.402602 -1.780191
O 0.139722 3.542834 1.551113
O -1.849386 1.457919 -2.381834
O -5.249174 -1.130140 3.188965
O 6.326776 -0.527362 -0.183097
N -1.304995 -0.775964 0.677762
N -2.221410 -1.625625 2.594992
N -3.377564 0.291061 -0.257673
N -5.350263 0.011097 1.122099
C 1.211137 1.239404 0.521174
C -0.025991 1.084906 -0.389450
C 1.972241 -0.093375 0.391733
C -0.312868 -0.442833 -0.370903
C 3.143943 -0.055031 -0.599557
C 3.792039 -1.440515 -0.750471
C -2.652815 -0.426089 0.677432
C -1.101108 -1.511813 1.873325
C -3.217417 -0.947754 1.859482
C 0.237062 2.581352 2.342856
C -0.654592 1.718215 -2.664475
C -4.643436 -0.736713 2.159676
C -0.166720 2.525707 3.792431
C -0.152676 2.286204 -3.964032
C -4.738118 0.460393 0.048488
C 6.117936 -0.929103 -1.350280
C 7.129066 -1.013213 -2.470616
H 1.797059 2.131836 0.245475
H -0.878072 1.697407 -0.056322
H 2.299280 -0.438142 1.389300
H -0.681943 -0.811208 -1.345375
H 2.791690 0.300586 -1.584577
H 3.900793 0.657943 -0.221921
H 3.073753 -2.180500 -1.132813
H 4.224773 -1.780600 0.208411
H -0.129637 -1.926926 2.120533
H -2.950812 0.714364 -1.099294
H -0.559344 3.502575 4.107446
H 0.697085 2.247940 4.420633
H -0.937492 1.748576 3.941404
H 0.868483 1.937358 -4.180326
H -0.838416 2.015206 -4.780245
H -0.123903 3.389089 -3.889245
H -5.304811 1.023837 -0.703007
H 7.495118 -2.052619 -2.557317
H 7.984526 -0.357809 -2.250927
H 6.670244 -0.741703 -3.434590


