%chk=000244388.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244388

0 1
O -6.024266 0.134811 0.400160
O 6.024310 -0.134304 0.400388
C -0.405766 0.537141 0.239763
C 0.405811 -0.536826 0.240380
C 0.099276 1.958944 0.248390
C -0.099231 -1.958618 0.250623
C -1.882626 0.411437 0.237452
C 1.882671 -0.411123 0.237944
C 0.012864 2.591097 -1.140555
C -0.012798 -2.592357 -1.137598
C -2.572276 0.189570 -0.959336
C 2.572337 -0.190633 -0.959091
C -2.599056 0.534012 1.445274
C 2.599085 -0.532308 1.445915
C -3.969151 0.087310 -0.974657
C 3.969211 -0.088390 -0.974511
C -3.983745 0.433877 1.457087
C 3.983774 -0.432159 1.457630
C -4.656879 0.210817 0.236396
C 4.656924 -0.210502 0.236692
C -6.834228 -0.094248 -0.799544
C 6.834293 0.093364 -0.799567
C -8.194149 -0.125300 -0.319426
C 8.194204 0.124980 -0.319461
C -9.328614 -0.150601 0.085304
C 9.328665 0.150756 0.085251
H 1.146779 2.000608 0.613634
H -0.492228 2.558395 0.971409
H 0.492263 -2.557243 0.974336
H -1.146739 -1.999865 0.615899
H 0.375340 3.624703 -1.126244
H -1.020290 2.606417 -1.508391
H 0.615926 2.036896 -1.868514
H -0.615851 -2.038990 -1.866198
H -0.375272 -3.625947 -1.122110
H 1.020361 -2.608096 -1.505401
H -2.017174 0.094323 -1.892586
H 2.017245 -0.096460 -1.892456
H -2.058297 0.706715 2.376025
H 2.058315 -0.703942 2.376857
H -4.482872 -0.083850 -1.912889
H 4.482944 0.081691 -1.912934
H -4.559291 0.523164 2.375769
H 4.559309 -0.520389 2.376422
H -6.659800 0.743668 -1.506994
H -6.528346 -1.061396 -1.251290
H 6.659881 -0.745375 -1.506046
H 6.528416 1.059985 -1.252444
H -10.303937 -0.173108 0.428045
H 10.303977 0.173648 0.428001


%chk=000244388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244388

0 1
O -6.164634 0.426943 0.212448
O 6.164707 -0.426777 0.212954
C -0.401497 0.561589 0.351401
C 0.401567 -0.561085 0.352114
C 0.152782 1.984515 0.445852
C -0.152772 -1.983868 0.448329
C -1.899781 0.481280 0.298539
C 1.899848 -0.480876 0.299172
C -0.112576 2.844118 -0.817742
C 0.112580 -2.845057 -0.814183
C -2.573735 -0.190494 -0.753785
C 2.573815 0.189847 -0.753817
C -2.706048 1.128411 1.280401
C 2.706112 -1.127068 1.281659
C -3.984442 -0.240273 -0.830743
C 3.984521 0.239505 -0.830844
C -4.109681 1.085792 1.227200
C 4.109745 -1.084551 1.228389
C -4.756056 0.400253 0.168850
C 4.756129 -0.400074 0.169360
C -6.867586 -0.288027 -0.874251
C 6.867662 0.287104 -0.874459
C -8.311976 -0.171463 -0.659955
C 8.312052 0.170726 -0.660066
C -9.533245 -0.100236 -0.521615
C 9.533321 0.099611 -0.521673
H 1.234405 1.959586 0.660815
H -0.327056 2.492479 1.307719
H 0.327010 -2.490776 1.310847
H -1.234399 -1.958618 0.663230
H 0.267597 3.872904 -0.677640
H -1.193594 2.905828 -1.037086
H 0.386672 2.413371 -1.705264
H -0.386611 -2.415374 -1.702251
H -0.267663 -3.873645 -0.672817
H 1.193603 -2.907105 -1.033412
H -1.982853 -0.671783 -1.540806
H 1.982938 0.670386 -1.541297
H -2.225940 1.653935 2.113538
H 2.226012 -1.651759 2.115326
H -4.451412 -0.767521 -1.668045
H 4.451494 0.765923 -1.668667
H -4.724976 1.570724 1.991177
H 4.725034 -1.568758 1.992831
H -6.590478 0.154356 -1.854157
H -6.566290 -1.356655 -0.874782
H 6.590538 -0.156245 -1.853925
H 6.566382 1.355735 -0.876046
H -10.597887 -0.031256 -0.390022
H 10.597959 0.030722 -0.389998


