%chk=000231622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231622

0 1
O -0.156596 2.229702 0.448813
O -2.529639 -2.203866 -1.600982
O -0.676179 1.121210 -1.448162
C -0.656745 -0.083578 0.726663
C -1.835128 0.234555 1.674068
C -0.917276 -1.364602 -0.078592
C -3.161271 0.310354 0.912919
C 0.647936 -0.211542 1.552825
C -3.480453 -1.009818 0.215972
C -2.326944 -1.555446 -0.599142
C -0.513496 1.096200 -0.254241
C 1.849291 -0.591895 0.730350
C 2.285316 -1.924614 0.685541
C 2.551646 0.391004 0.015643
C -0.027695 3.483772 -0.292313
C 3.407782 -2.269092 -0.073153
C 3.671695 0.041123 -0.741758
C 4.102162 -1.289085 -0.788626
C -1.400479 4.055332 -0.580408
H -1.644228 1.193852 2.198029
H -1.895270 -0.539891 2.462606
H -0.661885 -2.255981 0.533114
H -0.213344 -1.413705 -0.945969
H -3.129977 1.131341 0.166600
H -3.980996 0.573568 1.610235
H 0.492108 -0.947575 2.367765
H 0.841798 0.756014 2.070366
H -4.367362 -0.893791 -0.443666
H -3.772177 -1.783278 0.957277
H 1.754217 -2.694665 1.240205
H 2.219305 1.428521 0.050543
H 0.556666 4.090147 0.423035
H 0.551476 3.289419 -1.213067
H 3.740628 -3.305449 -0.107444
H 4.209949 0.806431 -1.299058
H 4.973505 -1.560035 -1.381117
H -1.333776 5.065883 -1.000723
H -1.943215 3.432948 -1.308427
H -2.015052 4.109033 0.326479


%chk=000231622-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231622

0 1
O -0.185554 2.237039 0.399916
O -2.629791 -2.069402 -1.734003
O -0.744045 0.997196 -1.489609
C -0.670974 -0.116710 0.737683
C -1.839239 0.209379 1.723060
C -0.990402 -1.416446 -0.053051
C -3.197698 0.325489 0.998975
C 0.656964 -0.271901 1.568071
C -3.549525 -0.979515 0.243477
C -2.408036 -1.505634 -0.631779
C -0.541377 1.052158 -0.256418
C 1.903538 -0.606018 0.759438
C 2.306798 -1.952268 0.561026
C 2.696857 0.424177 0.188825
C -0.069861 3.461221 -0.454853
C 3.459682 -2.263740 -0.194171
C 3.850185 0.118198 -0.567079
C 4.234957 -1.228087 -0.764284
C -1.436464 4.123457 -0.648486
H -1.608540 1.145291 2.263057
H -1.889316 -0.604648 2.475787
H -0.885833 -2.269431 0.651864
H -0.274492 -1.577085 -0.874923
H -3.172701 1.171469 0.284776
H -3.993400 0.554891 1.732240
H 0.469527 -1.070734 2.312639
H 0.809282 0.670175 2.125355
H -4.449494 -0.868448 -0.385509
H -3.769167 -1.775637 0.988211
H 1.718508 -2.763149 1.008927
H 2.410553 1.470547 0.348946
H 0.625214 4.104003 0.109138
H 0.375353 3.169996 -1.422476
H 3.753619 -3.310019 -0.334860
H 4.450421 0.927609 -0.998118
H 5.129827 -1.466920 -1.349742
H -1.313527 5.075156 -1.198117
H -2.107045 3.474251 -1.235921
H -1.908506 4.346594 0.324187


