%chk=000243747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243747

0 1
O 0.079851 2.480783 0.566726
O 3.201679 -0.979302 -1.799409
O -4.470618 -0.871685 -2.708483
O 5.339132 -0.086467 0.701456
C -0.949677 0.265587 0.051563
C -0.249845 -0.726752 1.021126
C 1.055977 -1.177121 0.349672
C 2.031422 0.022920 0.144772
C -2.328916 0.728748 0.611512
C -3.230001 -0.526477 0.862634
C -0.034162 1.431965 -0.404496
C 1.384193 1.001068 -0.840695
C 3.302638 -0.734427 -0.387247
C -1.150560 -1.942632 1.308256
C 1.924293 -2.253060 1.025147
C -2.535907 -1.524231 1.808869
C 3.322792 -2.070885 0.395998
C -3.049190 1.667519 -0.395017
C -3.641704 -1.224651 -0.446729
C 2.410833 0.733313 1.450742
C -2.186332 1.502324 1.935881
C -3.448254 0.981147 -1.700126
C -4.320541 -0.245452 -1.412979
C 4.617190 0.070576 -0.256637
C 4.909493 1.031976 -1.360052
H -1.176975 -0.307910 -0.889207
H -0.030802 -0.210906 1.984928
H 0.781162 -1.571723 -0.664551
H -4.164295 -0.171289 1.364832
H -0.528249 1.981259 -1.245531
H 1.351957 0.554183 -1.853522
H 2.005177 1.912754 -0.948107
H -0.665483 -2.594041 2.059846
H -1.255756 -2.561574 0.396176
H 1.529593 -3.266516 0.854825
H 1.960638 -2.114571 2.119192
H -3.170254 -2.421205 1.940712
H -2.449081 -1.071780 2.816277
H 4.111263 -2.047541 1.174793
H 3.587920 -2.906054 -0.272667
H -2.403141 2.542216 -0.611603
H -3.951275 2.091329 0.088512
H -2.753748 -1.666042 -0.942968
H -4.311473 -2.074113 -0.224974
H 2.935646 0.065850 2.147183
H 3.071930 1.590101 1.270688
H 1.522009 1.114658 1.976473
H -1.593468 0.950013 2.670523
H -1.687719 2.469489 1.769199
H -3.158481 1.714905 2.390018
H -3.994585 1.681984 -2.360521
H -2.558483 0.670348 -2.282746
H -5.332837 0.043314 -1.056663
H 0.503419 2.144294 1.392774
H 2.497478 -1.636069 -1.983178
H 4.791240 0.546362 -2.346060
H 4.212163 1.881243 -1.351230
H 5.930362 1.432022 -1.293593
H -5.013941 -1.675070 -2.645712


%chk=000243747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243747

0 1
O 0.079164 2.605694 0.681394
O 3.095941 -1.095595 -1.827761
O -4.534793 -0.771805 -2.860901
O 5.359147 0.115604 0.613612
C -0.942381 0.312401 0.138512
C -0.246229 -0.727046 1.083506
C 1.103312 -1.142856 0.460159
C 2.072471 0.054591 0.197597
C -2.376632 0.728471 0.649462
C -3.253401 -0.573176 0.794234
C -0.021399 1.497968 -0.299020
C 1.389446 1.043361 -0.772306
C 3.320667 -0.742402 -0.407738
C -1.152082 -1.969291 1.292542
C 1.994972 -2.186714 1.175478
C -2.585450 -1.605216 1.738221
C 3.392964 -2.023587 0.489222
C -3.090866 1.688624 -0.353897
C -3.626780 -1.207051 -0.575450
C 2.513323 0.745995 1.520979
C -2.342427 1.458669 2.024150
C -3.433949 1.050385 -1.718492
C -4.305909 -0.195248 -1.519568
C 4.626119 0.081722 -0.412241
C 4.975875 0.847051 -1.672821
H -1.100390 -0.243681 -0.813115
H -0.061527 -0.272449 2.079196
H 0.836089 -1.563384 -0.542077
H -4.207598 -0.249716 1.267680
H -0.503989 2.004365 -1.153552
H 1.293997 0.561439 -1.765166
H 1.994249 1.959391 -0.913481
H -0.689701 -2.641493 2.041018
H -1.191114 -2.542409 0.341938
H 1.601738 -3.213632 1.079317
H 2.057620 -1.961287 2.256788
H -3.205280 -2.523415 1.783872
H -2.557215 -1.197281 2.767266
H 4.202927 -1.910351 1.229172
H 3.651283 -2.888593 -0.148004
H -2.481486 2.599660 -0.493685
H -4.035073 2.027085 0.123482
H -2.737495 -1.610065 -1.096023
H -4.305410 -2.067772 -0.394165
H 3.271798 0.159633 2.065379
H 2.960623 1.734766 1.317204
H 1.662210 0.887235 2.213552
H -1.734446 0.930775 2.780045
H -1.934323 2.475839 1.909315
H -3.370718 1.536089 2.428618
H -3.971548 1.774148 -2.358455
H -2.521165 0.752977 -2.270421
H -5.280335 0.112050 -1.073105
H 0.513115 2.274340 1.506113
H 2.335802 -1.728298 -1.876545
H 5.210469 0.131072 -2.481476
H 4.112015 1.432386 -2.033951
H 5.840938 1.501295 -1.483550
H -5.091465 -1.586567 -2.765456


