%chk=000259603.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259603

0 1
O -1.748540 2.768397 0.373916
O 3.410247 3.075117 -2.392847
O -0.079817 1.271465 0.318650
O 1.191775 3.063051 -2.106030
O -2.991122 -2.546290 -1.317100
O 2.587254 -1.432821 2.865687
O -4.752945 -3.510193 -0.527790
O 1.593590 -1.202160 0.963124
O -8.093598 1.047986 1.914076
O 8.087514 1.221346 2.068638
O -8.240551 -1.097197 1.660227
O 7.063113 0.069996 3.589020
N -2.636769 0.008911 -1.076833
N 2.538143 0.436452 -0.823808
N -4.074496 -2.521693 -0.727606
N 2.533205 -0.999166 1.730234
N -7.667138 -0.029228 1.530355
N 7.119158 0.615678 2.500098
C 0.093699 -0.123570 -2.378431
C -0.929631 0.997516 -2.593459
C 1.448285 0.141648 -3.047070
C -1.885139 1.234856 -1.411295
C 2.492695 0.917173 -2.215073
C -1.094326 1.696143 -0.172431
C 2.211356 2.430925 -2.212765
C -3.851364 -0.002091 -0.441616
C 3.658862 0.447786 -0.036718
C -4.568333 -1.234256 -0.257253
C 3.659394 -0.209518 1.241250
C -4.443495 1.205276 0.056527
C 4.855697 1.121752 -0.449572
C -5.817276 -1.228336 0.397441
C 4.796960 -0.136450 2.068300
C -5.661914 1.191632 0.686214
C 5.960146 1.168670 0.362736
C -6.362113 -0.035957 0.857065
C 5.932965 0.541317 1.639579
H 0.236366 -0.322204 -1.287227
H -0.313120 -1.078341 -2.777921
H -0.409840 1.964806 -2.801717
H -1.527609 0.789502 -3.505571
H 1.302803 0.662073 -4.016813
H 1.900350 -0.842534 -3.310722
H -2.603214 2.064425 -1.691837
H 3.503738 0.768736 -2.707152
H -2.199738 -0.895810 -1.363625
H 1.624932 0.068445 -0.437908
H -3.900831 2.151120 -0.043506
H 4.875933 1.634860 -1.415900
H -6.361436 -2.181490 0.538693
H 4.782256 -0.629121 3.058931
H -6.117412 2.114985 1.071580
H 6.876416 1.690564 0.052743
H -1.292328 3.141726 1.181127
H 3.332239 4.070592 -2.387618


%chk=000259603-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259603

0 1
O -1.130498 3.200956 -0.361750
O 2.215349 2.870044 -2.807917
O -1.462650 1.300918 0.949451
O 1.771190 2.604922 -0.539239
O -3.206947 -2.457488 -1.425811
O 3.861078 -2.112557 2.886264
O -5.101369 -3.467496 -0.675248
O 2.415289 -1.806195 1.157457
O -8.596818 1.237725 1.545624
O 8.483275 1.975865 1.787370
O -8.713295 -1.033817 1.319257
O 7.922461 0.388506 3.333589
N -2.951503 0.133958 -1.239857
N 2.935629 -0.024412 -0.681705
N -4.395958 -2.409699 -0.865476
N 3.522612 -1.514395 1.800351
N -8.106342 0.097625 1.178134
N 7.695051 1.061985 2.255447
C 0.023053 -0.114349 -1.858550
C -0.932741 0.985750 -2.395199
C 1.386548 -0.126360 -2.607198
C -2.131625 1.320197 -1.457622
C 2.540755 0.660665 -1.909416
C -1.572074 1.894512 -0.138220
C 2.135188 2.121694 -1.629201
C -4.184650 0.121930 -0.645831
C 4.074228 0.240808 0.033439
C -4.927577 -1.108421 -0.453433
C 4.399270 -0.473675 1.251891
C -4.815795 1.332776 -0.196312
C 5.018308 1.235179 -0.398781
C -6.205026 -1.113369 0.144451
C 5.578637 -0.202738 1.975455
C -6.078170 1.328710 0.390119
C 6.185648 1.500389 0.312503
C -6.770206 0.098406 0.557041
C 6.460457 0.776473 1.503331
H 0.180294 0.014736 -0.770026
H -0.447659 -1.107813 -1.977771
H -0.384146 1.928848 -2.559900
H -1.339657 0.675960 -3.376855
H 1.265418 0.283131 -3.626361
H 1.751186 -1.163877 -2.722322
H -2.723368 2.121523 -1.941547
H 3.387953 0.696239 -2.621544
H -2.588320 -0.804879 -1.479485
H 2.321047 -0.741907 -0.257538
H -4.289233 2.283854 -0.307342
H 4.818980 1.804416 -1.310203
H -6.740800 -2.056450 0.279171
H 5.794692 -0.756612 2.892769
H -6.551455 2.252689 0.732555
H 6.898869 2.257885 -0.023078
H -0.579338 3.514536 0.405554
H 1.929756 3.809198 -2.639491


