%chk=000270571.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270571

0 1
O -0.957464 -3.744342 -0.794714
O -1.682138 0.021979 3.052767
O -2.129259 -3.454806 1.117556
O -2.010509 1.963672 -3.018026
O -3.539291 2.878475 -0.784875
O 3.574295 1.919577 1.385976
O 5.716031 0.510634 -0.040813
C 0.319175 -1.311262 -0.374765
C 0.027701 -2.296867 0.785822
C -0.701140 -0.196497 -0.432064
C -0.210597 -1.583395 2.114506
C -1.404404 0.207306 0.709802
C 1.735651 -0.785159 -0.257268
C -1.166265 -0.408793 2.041913
C -1.163434 -3.186563 0.447936
C -0.944152 0.435633 -1.659746
C -2.364906 1.235484 0.625545
C 2.026388 0.371249 0.477433
C 2.771100 -1.485383 -0.898834
C -1.895246 1.459518 -1.751757
C -2.618333 1.860522 -0.587772
C 3.349989 0.814141 0.576625
C 4.094863 -1.056364 -0.791264
C 4.391802 0.090799 -0.045607
C -2.004232 -4.608545 -1.344153
C -3.141552 -3.759844 -1.870650
C -2.960071 3.037566 -3.251705
C -4.307602 3.301992 0.368731
C 4.161390 3.055013 0.690219
C 6.323515 0.529283 1.281297
H 0.237937 -1.899519 -1.336993
H 0.915018 -2.979599 0.896967
H -0.593799 -2.299992 2.878454
H 0.756270 -1.213415 2.524181
H -0.397406 0.148857 -2.558637
H -2.893389 1.519603 1.540545
H 1.240426 0.947390 0.969005
H 2.546801 -2.376728 -1.484351
H 4.904979 -1.596981 -1.280067
H -2.326294 -5.312392 -0.556069
H -1.443083 -5.132884 -2.138686
H -2.780370 -2.966458 -2.538090
H -3.683464 -3.266185 -1.049037
H -3.868581 -4.361814 -2.428042
H -2.694026 3.910982 -2.646558
H -3.975225 2.695565 -3.023076
H -2.824032 3.226356 -4.322504
H -4.940708 4.086696 -0.063713
H -4.912787 2.473734 0.749688
H -3.646031 3.710298 1.138763
H 3.423730 3.467830 -0.003634
H 5.078710 2.760437 0.167863
H 4.366553 3.748150 1.512877
H 5.724168 1.128686 1.976116
H 6.437173 -0.497593 1.638520
H 7.295824 0.992053 1.082063


%chk=000270571-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270571

0 1
O -1.009488 -3.838554 -0.864105
O -1.763246 -0.141406 3.125594
O -2.253396 -3.312289 1.037943
O -2.083396 2.066128 -2.960576
O -3.621505 2.909222 -0.597256
O 3.662936 2.144615 1.101916
O 5.856460 0.426577 0.194551
C 0.350734 -1.307245 -0.403121
C 0.019781 -2.351636 0.724271
C -0.707060 -0.208603 -0.420833
C -0.167205 -1.662507 2.089542
C -1.420578 0.155464 0.755772
C 1.790181 -0.789114 -0.248122
C -1.181777 -0.517476 2.063728
C -1.211703 -3.185123 0.356547
C -0.987172 0.480998 -1.615763
C -2.389262 1.191110 0.697826
C 2.093582 0.458615 0.346152
C 2.862024 -1.598256 -0.709206
C -1.949922 1.515667 -1.687923
C -2.668712 1.877080 -0.494914
C 3.430045 0.888051 0.492415
C 4.200644 -1.187815 -0.544540
C 4.499378 0.046238 0.073056
C -2.143512 -4.675175 -1.370427
C -3.150835 -3.813150 -2.136242
C -3.035343 3.147398 -3.281407
C -4.355075 3.261405 0.623021
C 4.308241 3.145166 0.219101
C 6.324931 0.616251 1.588257
H 0.302283 -1.855711 -1.361962
H 0.870534 -3.058292 0.777487
H -0.489091 -2.375434 2.866853
H 0.804919 -1.239176 2.412358
H -0.457441 0.233197 -2.541526
H -2.907253 1.427778 1.632472
H 1.300541 1.134733 0.681609
H 2.646418 -2.556682 -1.197481
H 5.035150 -1.809127 -0.885425
H -2.617728 -5.177565 -0.508953
H -1.648898 -5.415157 -2.019675
H -2.659510 -3.270930 -2.962713
H -3.628795 -3.081191 -1.463978
H -3.941916 -4.455966 -2.565315
H -2.818515 4.055346 -2.696230
H -4.074285 2.831045 -3.095034
H -2.872438 3.329700 -4.354987
H -5.036770 4.070898 0.322951
H -4.937067 2.399935 1.002474
H -3.668524 3.620756 1.413128
H 3.639795 3.388237 -0.628545
H 5.276192 2.772278 -0.162280
H 4.456881 4.036938 0.846847
H 5.711013 1.369447 2.113720
H 6.286444 -0.345424 2.134351
H 7.368009 0.956830 1.502296


