%chk=000183639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183639

0 1
O 0.134189 -3.037656 0.593319
O -2.068243 1.900456 -0.692112
O -3.266231 2.248374 1.217529
C 0.410632 -0.645542 0.276432
C -1.799719 -1.745381 0.022633
C -2.403838 -0.472186 -0.259935
C -0.177910 0.608543 -0.015629
C -0.437481 -1.805041 0.261003
C -1.584498 0.640305 -0.286042
C 2.572162 0.431350 0.592318
C 4.037374 0.378585 0.928453
C 1.799434 -0.709214 0.594185
C -2.625547 -3.001809 0.090938
C -3.878309 -0.350628 -0.531504
C 0.641532 1.778523 -0.026446
C 4.892288 0.361826 -0.348453
C 1.978882 1.691922 0.265337
C 6.390639 0.316284 -0.020824
C -3.204842 -3.196096 1.492849
C -4.154454 0.011868 -1.990026
C 7.242849 0.299584 -1.287689
C 0.802621 -3.684126 -0.521129
C -2.891605 2.645655 0.146435
C -3.177134 3.933348 -0.545315
H 4.264355 -0.514221 1.546256
H 4.315072 1.245919 1.561859
H 2.218777 -1.680640 0.858864
H -3.438985 -2.975119 -0.662662
H -1.995886 -3.880869 -0.168007
H -4.411781 -1.289241 -0.273813
H -4.312247 0.416382 0.148993
H 0.173045 2.731583 -0.273380
H 4.613646 -0.509489 -0.972434
H 4.665758 1.253956 -0.964115
H 2.608539 2.580052 0.257566
H 6.667238 1.188206 0.603898
H 6.615978 -0.578061 0.592749
H -2.401443 -3.315850 2.232911
H -3.837996 -4.087419 1.541948
H -3.805753 -2.335190 1.808674
H -3.790808 -0.766747 -2.670538
H -5.226166 0.140836 -2.171430
H -3.647789 0.945947 -2.269392
H 7.072909 1.191897 -1.901050
H 7.021578 -0.573384 -1.912342
H 8.311150 0.266990 -1.045699
H 0.078108 -3.924516 -1.303757
H 1.605438 -3.050961 -0.908972
H 1.200932 -4.592255 -0.054689
H -2.686053 4.003208 -1.529645
H -4.260414 4.058963 -0.701129
H -2.834992 4.785376 0.063411


%chk=000183639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183639

0 1
O 0.105738 -3.062881 0.589518
O -2.133904 1.969488 -0.710516
O -2.981012 2.437933 1.429384
C 0.384056 -0.641220 0.284139
C -1.847302 -1.719386 0.010047
C -2.437160 -0.430274 -0.280172
C -0.197999 0.641245 -0.033496
C -0.468342 -1.798688 0.266321
C -1.600922 0.690761 -0.305641
C 2.590946 0.424182 0.610694
C 4.075177 0.342171 0.931020
C 1.775229 -0.713202 0.618555
C -2.702134 -2.976345 0.097233
C -3.916315 -0.294562 -0.615707
C 0.647273 1.798093 -0.044809
C 4.967002 0.386200 -0.341362
C 2.003129 1.687787 0.260951
C 6.477403 0.332484 -0.019052
C -3.293388 -3.174409 1.520156
C -4.177939 -0.367734 -2.144722
C 7.359814 0.366115 -1.285577
C 0.751408 -3.735009 -0.556398
C -2.791149 2.782737 0.248559
C -3.214025 4.089618 -0.387094
H 4.291342 -0.590890 1.486739
H 4.367134 1.182916 1.592652
H 2.187165 -1.684256 0.914033
H -3.519220 -2.943465 -0.646210
H -2.083126 -3.858422 -0.139912
H -4.494630 -1.083281 -0.105161
H -4.302219 0.664196 -0.228636
H 0.211559 2.769233 -0.298197
H 4.696025 -0.461619 -1.002561
H 4.744293 1.309492 -0.914104
H 2.637344 2.582856 0.254005
H 6.740255 1.184771 0.640672
H 6.694538 -0.587562 0.561380
H -2.478349 -3.286117 2.256132
H -3.924937 -4.081012 1.560151
H -3.909710 -2.309879 1.827095
H -3.828977 -1.329315 -2.564099
H -5.257144 -0.270167 -2.363931
H -3.642378 0.443902 -2.667909
H 7.182327 1.290067 -1.867710
H 7.137605 -0.493278 -1.945879
H 8.435094 0.328134 -1.031369
H 0.010763 -3.963458 -1.348212
H 1.557398 -3.108711 -0.984962
H 1.173117 -4.670287 -0.156491
H -2.910698 4.140339 -1.442339
H -4.310136 4.196707 -0.309668
H -2.765014 4.928300 0.172863


