%chk=000289547.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289547

0 1
O 0.099466 -2.105311 -1.249195
O -0.355097 1.429441 -2.310600
O 1.461179 0.178111 -2.773869
O 1.099868 1.279755 2.339967
O -4.384464 0.259177 -0.317867
O 1.642266 3.016339 0.989848
O -3.240177 0.140072 1.632046
C 0.514237 0.138306 -0.490442
C -0.799199 0.656220 0.143115
C 0.480814 -1.414567 -0.334592
C 1.743953 0.708795 0.181192
C 0.844280 -1.970943 1.018129
C 1.993453 -2.986114 0.916725
C 3.377022 -2.380170 1.188003
C 4.143284 -1.939034 -0.066411
C 3.459947 -0.826813 -0.874979
C 3.010281 0.293261 0.002661
C -2.062548 0.100500 -0.518657
C 0.629242 0.531049 -1.973543
C 1.511626 1.827734 1.140497
C -3.230700 0.165143 0.422639
C -0.327189 1.933626 -3.675973
C 0.806533 2.198751 3.426655
C -5.664064 0.272752 0.392032
C -6.025178 -1.131929 0.827067
H -0.823872 1.767248 0.075244
H -0.800108 0.417449 1.233962
H -0.059440 -2.471140 1.432723
H 1.089436 -1.170677 1.750520
H 1.973808 -3.482589 -0.076195
H 1.807444 -3.798014 1.649054
H 3.285555 -1.528965 1.891931
H 3.994664 -3.131315 1.723062
H 5.157309 -1.607235 0.235534
H 4.300385 -2.811533 -0.733216
H 4.163625 -0.428235 -1.641342
H 2.634358 -1.253077 -1.488658
H 3.827067 0.785498 0.548293
H -1.939396 -0.953312 -0.862046
H -2.282201 0.661028 -1.460828
H 0.591327 2.508587 -3.830270
H -0.385787 1.097268 -4.380109
H -1.218926 2.567838 -3.710594
H -5.586927 0.975302 1.240705
H -6.331289 0.672541 -0.393398
H 0.374516 3.130888 3.044679
H 0.088523 1.639869 4.037153
H 1.739146 2.392164 3.963914
H -5.951814 -1.843336 -0.005845
H -5.350504 -1.488764 1.619671
H -7.047836 -1.180534 1.219007


%chk=000289547-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289547

0 1
O 0.061117 -2.258892 -1.209826
O -0.151839 1.732155 -2.008031
O 1.090814 -0.046166 -2.827744
O 0.765821 1.705711 2.159405
O -4.523998 0.094620 -0.375122
O 2.515810 2.816208 1.110814
O -3.409973 0.156538 1.674494
C 0.472646 0.029395 -0.395625
C -0.878391 0.442851 0.294265
C 0.505842 -1.526827 -0.288223
C 1.751142 0.668423 0.211103
C 0.931855 -2.139128 1.048316
C 2.129285 -3.140383 0.951146
C 3.543239 -2.517376 1.115175
C 4.227897 -1.989052 -0.171639
C 3.410359 -0.935913 -0.973081
C 3.011405 0.238040 -0.116483
C -2.134830 -0.069459 -0.440418
C 0.503212 0.503528 -1.874762
C 1.722003 1.843765 1.147919
C -3.376580 0.076116 0.423307
C -0.059233 2.357960 -3.350486
C 0.706048 2.814650 3.143078
C -5.837210 0.149464 0.340936
C -6.297691 -1.255939 0.737750
H -0.920844 1.541580 0.348323
H -0.882048 0.081842 1.335657
H 0.046222 -2.707042 1.397222
H 1.146567 -1.359353 1.799200
H 2.051217 -3.698619 -0.002512
H 1.991704 -3.885475 1.757560
H 3.488678 -1.702119 1.865360
H 4.213407 -3.285633 1.549837
H 5.208379 -1.554137 0.111003
H 4.442827 -2.837832 -0.850456
H 4.047552 -0.558389 -1.799713
H 2.547533 -1.407242 -1.467358
H 3.846465 0.797434 0.331755
H -2.045301 -1.140991 -0.708457
H -2.299399 0.468100 -1.389241
H 0.996668 2.548766 -3.605292
H -0.502952 1.694931 -4.111728
H -0.622663 3.296914 -3.259887
H -5.727321 0.800847 1.225880
H -6.512733 0.614518 -0.394736
H 0.511333 3.770849 2.629184
H -0.121826 2.545678 3.813558
H 1.660129 2.887044 3.691641
H -6.346051 -1.918059 -0.143912
H -5.611801 -1.697333 1.480138
H -7.306592 -1.205465 1.188105


