%chk=000227803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227803

0 1
O -7.285401 1.428104 -0.363655
O -5.443682 2.232749 0.638971
O -8.943780 0.167547 -1.209149
C 4.066572 -0.008643 0.333945
C 2.867831 -0.756760 -0.264923
C 5.381217 -0.426401 -0.338686
C 1.553765 -0.339285 0.408924
C 6.579815 0.322068 0.260025
C 0.354790 -1.086606 -0.190543
C 7.894802 -0.095594 -0.412053
C -0.957177 -0.668266 0.485605
C 9.092943 0.653354 0.186414
C -2.158505 -1.414293 -0.115626
C 10.409321 0.236179 -0.484479
C -5.808018 -0.237014 0.542877
C -3.437704 -1.004362 0.547515
C -4.529949 -0.638612 -0.131136
C -7.046077 -0.922752 -0.057897
C 11.605253 0.979004 0.107197
C -6.056601 1.260801 0.328006
C -7.904185 0.183707 -0.625085
H 3.920306 1.083677 0.227145
H 4.124204 -0.199387 1.422949
H 3.015567 -1.848835 -0.159527
H 2.810809 -0.563955 -1.353721
H 5.324417 -0.234899 -1.427642
H 5.528515 -1.518413 -0.232175
H 1.612370 -0.530675 1.497817
H 1.407919 0.753450 0.303039
H 6.433341 1.414245 0.152953
H 6.637134 0.131549 1.349068
H 0.298067 -0.891334 -1.279167
H 0.502943 -2.178876 -0.087114
H 7.837839 0.095208 -1.501083
H 8.041975 -1.187548 -0.304819
H -0.897257 -0.858171 1.574740
H -1.106621 0.424796 0.377516
H 9.151246 0.464330 1.275495
H 8.947709 1.745492 0.079295
H -2.023874 -2.511195 0.004981
H -2.194232 -1.241625 -1.211111
H 10.557260 -0.856105 -0.376080
H 10.353171 0.426878 -1.574100
H -5.755473 -0.424776 1.645860
H -3.416173 -1.028314 1.639865
H -4.550599 -0.600300 -1.220829
H -7.610949 -1.506252 0.696299
H -6.785249 -1.657166 -0.848695
H 11.508763 2.063521 -0.017675
H 11.712697 0.781595 1.179803
H 12.539644 0.674959 -0.377539


%chk=000227803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227803

0 1
O -7.597569 1.500330 0.161872
O -5.427238 2.261879 0.569848
O -9.453011 0.150926 -0.277153
C 4.092850 0.013363 0.242864
C 2.895459 -0.801410 -0.296095
C 5.455985 -0.465208 -0.305876
C 1.535801 -0.342048 0.277311
C 6.651951 0.361820 0.217402
C 0.336243 -1.140769 -0.280389
C 8.016644 -0.128499 -0.317345
C -1.015714 -0.706795 0.328591
C 9.212462 0.705308 0.195454
C -2.218683 -1.496867 -0.257289
C 10.577336 0.209426 -0.335001
C -5.888654 -0.211856 0.480627
C -3.525848 -1.134675 0.408266
C -4.599289 -0.588175 -0.216795
C -7.173399 -0.864724 -0.090149
C 11.766304 1.050358 0.178227
C -6.183888 1.304150 0.418175
C -8.238361 0.228502 -0.087351
H 3.950787 1.084557 -0.011789
H 4.105163 -0.042665 1.351653
H 3.047696 -1.875758 -0.060692
H 2.871119 -0.726756 -1.403533
H 5.439696 -0.423203 -1.415255
H 5.603793 -1.532592 -0.038159
H 1.555968 -0.434881 1.383425
H 1.390778 0.736518 0.059301
H 6.510421 1.427010 -0.061848
H 6.661518 0.331057 1.327227
H 0.298518 -1.022434 -1.383443
H 0.494261 -2.223091 -0.088770
H 8.004268 -0.106102 -1.427409
H 8.161683 -1.191287 -0.030378
H -0.984796 -0.847917 1.428808
H -1.176312 0.375842 0.156757
H 9.224217 0.687702 1.305600
H 9.071797 1.767382 -0.096111
H -2.021803 -2.581465 -0.121472
H -2.284775 -1.317017 -1.347951
H 10.718522 -0.850864 -0.040871
H 10.563281 0.224364 -1.444118
H -5.791702 -0.450771 1.558510
H -3.579383 -1.315181 1.494977
H -4.557558 -0.384022 -1.297237
H -7.524719 -1.736689 0.483360
H -7.025496 -1.200656 -1.133320
H 11.664033 2.108872 -0.127476
H 11.821236 1.025510 1.283122
H 12.729106 0.676298 -0.216305


