%chk=000222809.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222809

0 1
O -0.066913 2.274871 -0.951780
O -3.106977 -0.497054 2.249551
O -4.721263 1.397259 1.401972
O 5.413970 -0.358582 2.036040
C 0.154365 -0.832537 -0.709011
C -1.132192 -1.094350 0.087677
C 0.943279 0.288168 0.023068
C -2.045127 0.168148 0.118140
C 2.313230 0.593352 -0.666741
C 0.082406 1.551393 0.290189
C -1.303569 1.258570 0.902746
C -3.319735 -0.418496 0.832191
C 3.143958 -0.727560 -0.793488
C -2.081645 -2.223370 -0.348650
C 0.996261 -2.117639 -0.789415
C -3.407164 -1.893780 0.376997
C 2.345452 -1.860271 -1.460153
C 3.089558 1.628091 0.208584
C -2.436868 0.669952 -1.275499
C 2.138045 1.166967 -2.080911
C 3.716273 -1.163382 0.563756
C 4.542459 1.257139 0.505935
C -4.574294 0.461951 0.641576
C 4.641367 -0.115452 1.135845
C -5.563350 0.139224 -0.429775
H -0.091662 -0.484921 -1.740244
H -0.836568 -1.320328 1.149050
H 1.193106 -0.111745 1.044257
H 0.641064 2.240529 0.971424
H -1.179241 0.936650 1.957851
H -1.906189 2.184525 0.948424
H 4.013828 -0.508327 -1.466828
H -1.699842 -3.214830 -0.058482
H -2.214594 -2.244604 -1.442485
H 0.441923 -2.891949 -1.353231
H 1.151799 -2.538037 0.222890
H -4.276697 -2.090786 -0.264441
H -3.527789 -2.530344 1.278113
H 2.945712 -2.790409 -1.461857
H 2.186424 -1.607472 -2.528008
H 2.568338 1.782336 1.174704
H 3.064729 2.619907 -0.285302
H -1.532854 0.943436 -1.850495
H -2.960813 -0.092534 -1.859060
H -3.063510 1.565103 -1.231749
H 3.098345 1.330761 -2.576542
H 1.534801 0.507093 -2.713069
H 1.608624 2.132855 -2.058936
H 4.254126 -2.128699 0.476351
H 2.901736 -1.362608 1.291078
H 5.005960 2.012875 1.172861
H 5.152955 1.274773 -0.420213
H -0.779017 2.938629 -0.876656
H -3.295367 0.377101 2.679713
H -5.094047 -0.183242 -1.368175
H -6.240492 -0.665885 -0.103752
H -6.201916 1.008638 -0.654435


%chk=000222809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222809

0 1
O -0.135523 2.311884 -1.184561
O -2.878164 -0.672152 2.249749
O -4.686910 1.201806 1.879263
O 5.668942 -0.310085 1.992696
C 0.142246 -0.858933 -0.803163
C -1.180230 -1.100251 -0.043319
C 0.901904 0.316492 -0.104349
C -2.113238 0.146847 0.008833
C 2.354067 0.596614 -0.667226
C 0.024566 1.587369 0.103852
C -1.361347 1.280000 0.736726
C -3.314970 -0.491283 0.854202
C 3.179850 -0.749850 -0.700892
C -2.118164 -2.253537 -0.473626
C 1.010812 -2.140146 -0.763573
C -3.477348 -1.913715 0.231540
C 2.407669 -1.913977 -1.368994
C 3.069329 1.610937 0.304350
C -2.593238 0.584613 -1.400180
C 2.371293 1.182484 -2.107250
C 3.749130 -1.112635 0.693446
C 4.573936 1.319870 0.522375
C -4.569815 0.407539 0.896987
C 4.763117 -0.060699 1.154538
C -5.657811 0.321976 -0.153961
H -0.063419 -0.597330 -1.861474
H -0.902830 -1.303488 1.014269
H 1.063950 -0.041083 0.941264
H 0.560312 2.265953 0.801841
H -1.197039 0.968053 1.786011
H -1.959546 2.215649 0.768359
H 4.059302 -0.552635 -1.350661
H -1.737424 -3.240504 -0.160650
H -2.235651 -2.280496 -1.573772
H 0.497328 -2.956432 -1.307200
H 1.102414 -2.475990 0.291364
H -4.319652 -1.959366 -0.480122
H -3.696414 -2.612734 1.055804
H 3.010887 -2.840696 -1.294777
H 2.297598 -1.701014 -2.450890
H 2.581997 1.585871 1.300266
H 2.939579 2.639692 -0.079263
H -1.729473 0.821755 -2.039631
H -3.188434 -0.200405 -1.899897
H -3.213958 1.499134 -1.341673
H 3.417809 1.378613 -2.414995
H 1.935645 0.483785 -2.844173
H 1.797605 2.118628 -2.161406
H 4.244925 -2.101117 0.695287
H 2.945015 -1.171030 1.456645
H 5.053901 2.076439 1.168011
H 5.114091 1.337668 -0.447100
H -0.806781 3.027841 -1.046421
H -3.236053 0.116004 2.751846
H -5.258635 0.217542 -1.174695
H -6.274236 -0.576419 0.047848
H -6.308515 1.208048 -0.085875


