%chk=000250152.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250152

0 1
O -1.939551 -0.538044 -0.381963
O -1.708207 1.771309 -0.139925
O 4.266237 0.081949 -0.228860
C -3.846392 0.736521 0.440364
C -3.394515 -0.495869 -0.379289
C -3.133544 1.983566 -0.110789
C -3.778299 -1.831206 0.266505
C -5.372647 0.906602 0.398275
C -1.308850 0.632044 -0.924385
C -3.715159 -2.988716 -0.738032
C -5.873121 1.948486 1.394526
C 0.167316 0.468075 -0.703304
C -4.072334 -4.321539 -0.085613
C 0.640529 -0.018450 0.521565
C 1.071917 0.811758 -1.724343
C 2.012003 -0.176427 0.743831
C 2.438864 0.666095 -1.527270
C 2.895467 0.170102 -0.285862
C 4.865647 -0.433784 1.000562
C 6.357699 -0.387095 0.763424
C 6.855332 0.789915 -0.005982
C 7.150506 -1.338937 1.259972
H -3.511100 0.589036 1.497278
H -3.734833 -0.423404 -1.434294
H -3.224370 2.851960 0.566452
H -3.478824 2.259937 -1.120893
H -3.081851 -2.031782 1.108755
H -4.788652 -1.762108 0.713349
H -5.699789 1.176911 -0.624926
H -5.855023 -0.069855 0.616610
H -1.624761 0.774643 -1.976513
H -4.395225 -2.793675 -1.589338
H -2.692470 -3.040331 -1.167589
H -5.562761 1.711068 2.419254
H -5.495093 2.950986 1.164218
H -6.968058 2.004860 1.389892
H -3.384903 -4.565650 0.732977
H -5.086444 -4.313235 0.328529
H -4.019372 -5.142094 -0.810259
H -0.079343 -0.279148 1.302306
H 0.702480 1.196761 -2.675245
H 2.361913 -0.556885 1.696089
H 3.159995 0.922514 -2.298647
H 4.573219 0.225308 1.839115
H 4.487463 -1.458706 1.164161
H 6.272743 0.922486 -0.934669
H 6.742665 1.718934 0.570227
H 7.910726 0.697463 -0.288733
H 6.798257 -2.196397 1.810719
H 8.224210 -1.332053 1.146269


%chk=000250152-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250152

0 1
O -2.002506 -0.614982 -0.178331
O -1.714425 1.751070 0.157925
O 4.361765 -0.039913 -0.386756
C -3.969814 0.724535 0.550013
C -3.486078 -0.504292 -0.270437
C -3.172571 1.967562 0.086414
C -4.029464 -1.861197 0.200597
C -5.495390 0.962225 0.399220
C -1.335726 0.592497 -0.666361
C -3.572234 -3.042709 -0.684515
C -6.029810 2.170348 1.202859
C 0.153995 0.402345 -0.574415
C -4.089204 -4.400880 -0.164887
C 0.744175 -0.002885 0.643976
C 0.985573 0.641975 -1.694866
C 2.141241 -0.164819 0.754394
C 2.380892 0.486521 -1.603223
C 2.963192 0.085052 -0.375346
C 5.025757 -0.410878 0.883813
C 6.523394 -0.357255 0.661862
C 7.070069 0.944348 0.113206
C 7.302452 -1.422431 0.983650
H -3.726910 0.536134 1.615455
H -3.753488 -0.339187 -1.343992
H -3.357645 2.839826 0.731883
H -3.459966 2.225517 -0.960573
H -3.691870 -2.026271 1.243513
H -5.136190 -1.824781 0.217695
H -5.739817 1.096323 -0.675827
H -6.036293 0.055585 0.729656
H -1.672514 0.787951 -1.714561
H -3.930036 -2.880723 -1.722393
H -2.468058 -3.045737 -0.728111
H -5.748431 2.091230 2.269830
H -5.639146 3.130853 0.821521
H -7.132596 2.218399 1.148046
H -3.716292 -4.600026 0.857629
H -5.195448 -4.423806 -0.128775
H -3.755563 -5.232523 -0.812197
H 0.099370 -0.196287 1.506562
H 0.541197 0.956293 -2.647017
H 2.571009 -0.484664 1.708117
H 3.035519 0.668740 -2.460657
H 4.723108 0.320408 1.665220
H 4.702729 -1.423728 1.195360
H 6.621054 1.157791 -0.873587
H 6.806179 1.795057 0.772133
H 8.167304 0.911611 0.006887
H 6.874647 -2.359543 1.359595
H 8.392564 -1.386778 0.878298


