%chk=000180398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180398

0 1
O 5.790053 -0.562124 -0.410831
O -0.423213 -0.680323 -0.356419
C 6.359571 0.736431 -0.787894
C 6.485231 1.647352 0.444304
C 7.774424 0.356530 -1.252694
C 7.988472 1.795494 0.737117
C 8.738243 1.296049 -0.512411
C -6.701947 0.344469 0.515208
C -6.080478 -0.554165 -0.580061
C -6.415355 1.831850 0.225704
C -8.211624 0.056544 0.665488
C 4.442242 -0.671251 -0.184247
C -4.581271 -0.611722 -0.488507
C -6.737279 2.735444 1.413568
C -9.034125 0.307184 -0.595726
C 3.517305 0.378895 -0.254727
C 4.043880 -1.987552 0.138693
C -3.783910 0.106481 -1.401244
C -3.962198 -1.382920 0.502777
C 1.758016 -1.195770 0.329959
C 2.172420 0.101983 0.005300
C 2.700761 -2.239354 0.385356
C -1.799617 -0.726452 -0.317496
C -2.397452 0.057070 -1.327097
C -2.567700 -1.450183 0.600960
C 0.314206 -1.473932 0.627774
H 5.733266 1.166677 -1.591154
H 5.953789 1.206006 1.307736
H 6.017880 2.628711 0.259172
H 7.972103 -0.704563 -0.991649
H 7.879411 0.428355 -2.346110
H 8.267558 1.191534 1.619318
H 8.252982 2.838059 0.975767
H 9.674076 0.780474 -0.241045
H 9.025560 2.144398 -1.158302
H -6.217141 0.083867 1.490336
H -6.399043 -0.197717 -1.579618
H -6.496996 -1.579099 -0.497046
H -6.988681 2.160214 -0.662416
H -5.345765 1.949629 -0.043218
H -8.609792 0.681298 1.490706
H -8.349582 -0.992574 0.992767
H -6.501300 3.781273 1.187634
H -7.799285 2.688712 1.680802
H -6.160604 2.454449 2.302060
H -8.900071 1.332004 -0.963175
H -10.103183 0.163543 -0.403962
H -8.752193 -0.371907 -1.407526
H 3.822435 1.388403 -0.506933
H 4.792096 -2.775151 0.181332
H -4.258351 0.707906 -2.176475
H -4.570610 -1.942355 1.212907
H 1.429675 0.901200 -0.055077
H 2.379519 -3.253174 0.624227
H -1.766013 0.601249 -2.024920
H -2.112380 -2.054212 1.376819
H 0.028837 -1.126116 1.638117
H 0.040948 -2.535218 0.492169


%chk=000180398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180398

0 1
O 5.996886 -0.579979 -0.303336
O -0.427294 -0.706623 -0.654303
C 6.564239 0.690460 -0.840266
C 6.567177 1.805488 0.239501
C 8.058263 0.391211 -1.147977
C 7.921230 1.623669 0.967034
C 8.894450 1.296774 -0.194122
C -6.793516 0.324416 0.598808
C -6.207598 -0.602297 -0.517372
C -6.480429 1.816347 0.306467
C -8.306444 0.039878 0.827021
C 4.604513 -0.694604 -0.173042
C -4.686191 -0.651509 -0.543794
C -6.892996 2.786960 1.434773
C -9.232323 0.371005 -0.366401
C 3.666228 0.316630 -0.506924
C 4.144228 -1.943142 0.316395
C -3.933058 0.038543 -1.531828
C -3.968299 -1.385338 0.432450
C 1.815625 -1.168601 0.148943
C 2.285291 0.071239 -0.341439
C 2.764462 -2.173771 0.467548
C -1.829937 -0.731064 -0.552148
C -2.525411 0.004614 -1.542518
C -2.555897 -1.434781 0.441327
C 0.340647 -1.415519 0.385474
H 5.988200 0.966033 -1.744615
H 5.690905 1.743391 0.906999
H 6.540974 2.793605 -0.262761
H 8.233662 -0.678160 -0.936816
H 8.300309 0.563798 -2.210961
H 7.858194 0.766793 1.664092
H 8.220963 2.514024 1.547356
H 9.820969 0.802009 0.145916
H 9.187067 2.232448 -0.708925
H -6.272122 0.059095 1.545214
H -6.585242 -0.264999 -1.502184
H -6.607406 -1.624302 -0.356167
H -6.974997 2.116344 -0.640310
H -5.391696 1.913357 0.128455
H -8.650236 0.604191 1.716170
H -8.422406 -1.033659 1.083099
H -6.562121 3.817802 1.209867
H -7.989010 2.813321 1.576470
H -6.435976 2.490308 2.398200
H -9.204511 1.446977 -0.617985
H -10.280854 0.113123 -0.128670
H -8.948410 -0.195102 -1.272182
H 3.993335 1.287766 -0.888832
H 4.881093 -2.715750 0.556068
H -4.459453 0.608196 -2.307438
H -4.521722 -1.940149 1.200888
H 1.559344 0.844492 -0.611631
H 2.424387 -3.150158 0.834924
H -1.946674 0.532993 -2.306621
H -2.044638 -2.024183 1.208124
H 0.026123 -1.030153 1.380236
H 0.115906 -2.501552 0.349851


