%chk=000181439.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181439

0 1
O 4.605034 -0.078447 -0.402232
O -5.263171 1.210819 -0.247771
O 4.614335 -2.081249 0.652838
O -5.727937 -1.435273 -1.327393
C 2.129168 -0.079252 0.029416
C 1.260103 1.146731 0.469257
C -0.183948 0.958167 -0.005641
C -0.749871 -0.291803 0.737022
C 3.538752 0.419126 0.469549
C 1.602780 -1.314957 0.775985
C 2.073192 2.363909 -0.002840
C 0.114932 -1.541148 0.456570
C 3.543700 1.945158 0.230613
C -1.079885 2.172078 0.277061
C 2.126305 -0.324319 -1.484877
C -2.210637 -0.486836 0.397919
C -2.485733 1.928667 -0.284943
C -2.980588 0.535162 -0.042676
C -2.807014 -1.815534 0.628757
C -4.441717 0.331216 -0.286099
C 5.063103 -1.360027 -0.207897
C -4.037631 -2.130759 0.199751
C -4.851400 -1.147015 -0.556018
C 6.142187 -1.645678 -1.194482
H 1.244029 1.182127 1.589952
H -0.192621 0.759162 -1.106473
H -0.708216 -0.087948 1.841735
H 3.794422 0.127091 1.505615
H 1.747600 -1.201091 1.866722
H 2.197446 -2.211022 0.503634
H 1.815740 3.275149 0.558038
H 1.886984 2.585984 -1.067149
H 0.002864 -1.842127 -0.603355
H -0.252986 -2.396767 1.056140
H 4.176109 2.188417 -0.643882
H 3.985171 2.476518 1.088284
H -0.646917 3.083687 -0.175605
H -1.132533 2.371222 1.364254
H 1.107397 -0.379981 -1.885653
H 2.650520 0.475024 -2.022428
H 2.634239 -1.262643 -1.731930
H -2.500136 2.127342 -1.379311
H -3.204968 2.658558 0.151245
H -2.190568 -2.543254 1.167360
H -4.491661 -3.111555 0.341164
H 6.988702 -0.950742 -1.078129
H 5.784264 -1.532234 -2.229530
H 6.524058 -2.671150 -1.073469


%chk=000181439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181439

0 1
O 4.691932 -0.191215 -0.399807
O -5.273315 1.321015 -0.537782
O 4.846665 -1.861061 1.231832
O -6.370937 -1.261040 -0.174680
C 2.137745 -0.059693 -0.241810
C 1.262182 1.104829 0.330781
C -0.219785 0.960733 -0.053152
C -0.749315 -0.376672 0.553862
C 3.519800 0.419751 0.291777
C 1.617898 -1.396077 0.339333
C 2.043498 2.391424 -0.047893
C 0.100037 -1.592202 0.066725
C 3.547071 1.953761 0.038487
C -1.111655 2.132827 0.404553
C 2.161388 -0.109010 -1.792196
C -2.259597 -0.533134 0.345493
C -2.536761 1.962797 -0.156310
C -3.061365 0.547813 0.006499
C -2.867865 -1.859064 0.566388
C -4.519961 0.358790 -0.202035
C 5.273298 -1.324544 0.183929
C -4.205163 -2.126232 0.413684
C -5.133639 -1.062973 0.002021
C 6.470113 -1.772555 -0.627839
H 1.313147 1.015579 1.442055
H -0.301443 0.897672 -1.159701
H -0.588920 -0.308857 1.657028
H 3.604010 0.170811 1.367056
H 1.797229 -1.411544 1.433401
H 2.178021 -2.253511 -0.079295
H 1.817623 3.229668 0.633655
H 1.784487 2.725646 -1.069853
H -0.083304 -1.757598 -1.012963
H -0.214498 -2.518546 0.582082
H 4.086405 2.156476 -0.903144
H 4.088712 2.478611 0.843917
H -0.691463 3.096125 0.060864
H -1.139158 2.168070 1.513012
H 1.181262 -0.391895 -2.211919
H 2.449734 0.858776 -2.237917
H 2.900867 -0.856971 -2.128304
H -2.559417 2.230441 -1.233059
H -3.247343 2.661731 0.322892
H -2.203838 -2.672578 0.877880
H -4.624531 -3.122651 0.587889
H 7.224607 -0.967650 -0.664815
H 6.168262 -1.984971 -1.668054
H 6.910279 -2.672602 -0.175470


