%chk=000185109.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185109

0 1
O 0.722394 -0.678357 -0.228952
O -0.076516 -2.013506 -1.875939
O -0.641223 1.952254 1.292082
O -0.525020 1.899141 -0.943599
C 2.996662 -0.338948 0.350469
C 4.456897 -0.379396 -0.144272
C 2.619746 1.011156 0.994615
C 2.067479 -0.687387 -0.821129
C 5.454977 -0.433733 1.008887
C 2.648785 2.201068 0.040145
C -0.279794 -1.313127 -0.913618
C -1.582374 -1.016633 -0.244908
C -1.897784 0.260710 0.247860
C -2.507227 -2.061083 -0.118644
C -3.122927 0.482411 0.888257
C -3.734990 -1.833027 0.511417
C -4.039827 -0.566477 1.017648
C -0.959570 1.406148 0.069804
H 2.861729 -1.127291 1.135924
H 4.609685 -1.259349 -0.800321
H 4.662381 0.508811 -0.775599
H 3.302516 1.199731 1.846456
H 1.601781 0.911656 1.430929
H 2.259198 -1.685758 -1.249801
H 2.055691 0.074024 -1.619252
H 5.304734 -1.320562 1.635224
H 5.369281 0.445735 1.658601
H 6.485588 -0.465825 0.636849
H 1.822084 2.158409 -0.685292
H 3.583104 2.237143 -0.533342
H 2.566972 3.149049 0.580791
H -2.266036 -3.049268 -0.519962
H -3.356401 1.470771 1.289477
H -4.453992 -2.647791 0.606933
H -4.994585 -0.392106 1.515579
H 0.017084 2.698907 1.209784


%chk=000185109-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185109

0 1
O 0.709584 -0.705573 -0.090151
O -0.157798 -1.686056 -2.023312
O -1.568821 2.532929 1.096241
O -0.463517 1.788684 -0.802126
C 3.090649 -0.411458 0.420541
C 4.524236 -0.600430 -0.154725
C 2.844107 0.986898 1.055578
C 2.079640 -0.744132 -0.686269
C 5.648281 -0.408089 0.885945
C 3.013855 2.191565 0.101435
C -0.324693 -1.124650 -0.914397
C -1.663153 -0.918791 -0.260901
C -2.075637 0.316139 0.320018
C -2.532018 -2.033795 -0.212544
C -3.325256 0.392038 0.987059
C -3.779481 -1.946303 0.442731
C -4.170551 -0.734453 1.056637
C -1.275732 1.560415 0.124324
H 2.951924 -1.164240 1.225800
H 4.601323 -1.622307 -0.579658
H 4.683091 0.096652 -1.001955
H 3.528376 1.102383 1.918472
H 1.818129 0.996020 1.469366
H 2.248185 -1.752546 -1.107216
H 2.099235 -0.011622 -1.514135
H 5.499042 -1.071356 1.758953
H 5.689745 0.632090 1.255975
H 6.634632 -0.644891 0.446732
H 2.264733 2.174452 -0.709989
H 4.021493 2.221840 -0.352917
H 2.875230 3.139472 0.654211
H -2.215201 -2.968335 -0.686078
H -3.626736 1.345175 1.429368
H -4.438910 -2.819932 0.477358
H -5.133933 -0.662909 1.572043
H -1.043549 3.352615 0.890687


