%chk=000244625.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244625

0 1
O -0.393361 1.592354 0.876488
O -0.836095 0.896070 -1.291163
O 2.943234 1.705336 0.933158
O 1.229172 -1.848244 -1.390230
O 1.807216 3.046369 -0.500906
O -0.682679 -1.826090 -0.172130
C -1.445446 1.514634 -0.128877
C -2.571824 0.670654 0.440637
C 0.798438 0.959984 0.402956
C 0.399341 0.282199 -0.929032
C -3.905260 0.978693 -0.245853
C -5.032927 0.104286 0.318620
C -6.371930 0.410089 -0.365190
C 1.850942 2.058059 0.181645
C 0.188707 -1.228804 -0.748929
C -7.501238 -0.465428 0.196175
C -8.837279 -0.165810 -0.480009
C 4.113802 2.585123 0.913217
C 1.288372 -3.312101 -1.369509
C 4.922435 2.314113 -0.350021
C 1.875120 -3.769007 -0.039324
C 6.279267 3.027168 -0.298487
C 2.186205 -5.270697 -0.062208
C 7.092487 2.771512 -1.564599
C 2.764730 -5.740867 1.269630
H -1.693062 2.546424 -0.442274
H -2.639257 0.843245 1.535254
H -2.320945 -0.411745 0.334150
H 1.114033 0.262777 1.215024
H 1.081585 0.488453 -1.789592
H -3.809145 0.808830 -1.337739
H -4.161858 2.048814 -0.122074
H -5.122238 0.261085 1.410904
H -4.778522 -0.966161 0.188090
H -6.283423 0.251732 -1.457388
H -6.627889 1.479290 -0.236721
H -7.591876 -0.308249 1.288811
H -7.247808 -1.535773 0.064915
H 3.771979 3.631990 0.988739
H 4.626124 2.271306 1.840614
H 0.275624 -3.710788 -1.553299
H 1.949977 -3.505439 -2.233295
H -8.792907 -0.348236 -1.559775
H -9.636604 -0.795447 -0.073637
H -9.137155 0.878474 -0.336724
H 5.064749 1.222821 -0.479317
H 4.348632 2.647975 -1.239942
H 2.791898 -3.188973 0.187256
H 1.165039 -3.538350 0.782218
H 6.852558 2.689305 0.587503
H 6.127365 4.117591 -0.167958
H 2.899024 -5.498533 -0.879460
H 1.264773 -5.843388 -0.290389
H 8.060228 3.284812 -1.523716
H 6.570473 3.130309 -2.459875
H 7.293655 1.703820 -1.709559
H 2.067618 -5.566293 2.098017
H 2.983874 -6.814806 1.248771
H 3.698451 -5.220869 1.513307


%chk=000244625-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244625

0 1
O -0.050468 0.376830 1.671789
O -0.494958 0.594824 -0.650028
O 3.385951 1.176870 0.767334
O 1.697938 -2.296265 -0.966044
O 1.601611 2.663858 1.059071
O -0.572948 -2.287364 -0.403530
C -1.025926 0.936636 0.711451
C -2.394614 0.322249 0.961253
C 1.210071 0.211344 0.958822
C 0.735975 -0.166462 -0.487764
C -3.477771 0.908806 0.028381
C -4.866702 0.279730 0.275720
C -5.964240 0.845671 -0.653019
C 2.044488 1.501827 0.944271
C 0.499455 -1.682248 -0.603938
C -7.352761 0.209121 -0.415178
C -8.444249 0.776197 -1.348633
C 4.345221 2.323068 0.650357
C 1.683192 -3.791446 -1.058738
C 4.429938 2.821781 -0.797439
C 1.945685 -4.430173 0.310681
C 5.492197 3.936868 -0.951959
C 2.015217 -5.973354 0.213464
C 5.596430 4.446526 -2.405591
C 2.293361 -6.633642 1.581000
H -1.011935 2.041372 0.767331
H -2.660689 0.513404 2.020155
H -2.309171 -0.770442 0.821342
H 1.781920 -0.592656 1.446286
H 1.456552 0.144939 -1.261291
H -3.174958 0.740244 -1.023402
H -3.541973 2.008353 0.169369
H -5.162827 0.441152 1.333838
H -4.797927 -0.818922 0.135545
H -5.666353 0.687945 -1.710727
H -6.037027 1.944593 -0.511566
H -7.649655 0.367358 0.641983
H -7.277388 -0.888617 -0.555442
H 4.014090 3.126119 1.333466
H 5.301594 1.896778 0.994860
H 0.705671 -4.106568 -1.466858
H 2.488329 -4.015132 -1.777749
H -8.184132 0.605975 -2.410613
H -9.425955 0.303191 -1.160895
H -8.561222 1.867066 -1.204137
H 4.682920 1.972731 -1.461860
H 3.441236 3.207180 -1.110999
H 2.897863 -4.039827 0.719848
H 1.138766 -4.140673 1.010295
H 6.479967 3.555969 -0.621358
H 5.239543 4.782721 -0.281295
H 2.807517 -6.264170 -0.506135
H 1.060145 -6.359974 -0.195751
H 6.358391 5.241538 -2.498299
H 4.630752 4.861220 -2.749595
H 5.875644 3.627634 -3.094725
H 1.499376 -6.384830 2.309405
H 2.339128 -7.734286 1.493051
H 3.256112 -6.287037 2.001087


