%chk=000221718.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221718

0 1
O 1.987872 -1.505906 -0.976643
O 4.060183 1.148532 -0.016664
O 3.032382 -1.241394 1.023362
C -2.011240 -2.615150 0.521240
C -3.296872 -2.027859 -0.079327
C -0.797782 -2.438906 -0.399460
C -3.479055 -0.541246 0.251409
C 0.474791 -3.017135 0.230297
C -4.744349 0.031061 -0.402377
C 1.679298 -2.909979 -0.696266
C -4.928138 1.512693 -0.081514
C 2.829693 0.658504 -0.532937
C 2.651501 -0.782283 -0.024426
C 1.650087 1.523815 -0.149751
C 0.343264 1.033514 -0.266190
C 1.868909 2.838624 0.282772
C -0.739117 1.852700 0.060815
C 0.781703 3.654300 0.608076
C -0.523570 3.162642 0.499106
H -1.807972 -2.155844 1.508376
H -2.165435 -3.693294 0.724988
H -4.168180 -2.596547 0.302169
H -3.307402 -2.175913 -1.176482
H -0.636270 -1.358439 -0.624553
H -0.992325 -2.920186 -1.377026
H -2.590398 0.039033 -0.080734
H -3.528796 -0.404282 1.349016
H 0.320697 -4.081097 0.501860
H 0.696702 -2.497316 1.187184
H -4.698894 -0.110097 -1.500120
H -5.632620 -0.536862 -0.062202
H 2.579687 -3.385322 -0.267862
H 1.486070 -3.284930 -1.717857
H -4.985900 1.688227 0.998813
H -5.852340 1.900869 -0.525009
H -4.101633 2.117927 -0.470222
H 2.994984 0.676092 -1.642406
H 0.161009 0.003674 -0.610009
H 2.889100 3.220735 0.355770
H -1.757406 1.454252 -0.024412
H 0.953028 4.675503 0.945425
H 4.088227 1.048576 0.970158
H -1.368994 3.799013 0.754512


%chk=000221718-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221718

0 1
O 1.881963 -1.342329 -1.132265
O 4.179754 1.272014 -0.084638
O 3.417891 -1.234452 0.624662
C -1.963929 -2.535254 0.856228
C -3.375398 -2.082451 0.408108
C -0.875867 -2.380791 -0.231446
C -3.476686 -0.580032 0.053891
C 0.494023 -2.927482 0.226101
C -4.924862 -0.118153 -0.224762
C 1.603624 -2.790950 -0.822240
C -5.017015 1.377475 -0.597325
C 2.936882 0.797294 -0.669796
C 2.775710 -0.694880 -0.311971
C 1.714672 1.603543 -0.190858
C 0.467945 1.480372 -0.853787
C 1.836583 2.486581 0.906584
C -0.647914 2.226106 -0.413702
C 0.718035 3.230638 1.347244
C -0.527209 3.102100 0.690780
H -1.663059 -1.955185 1.753644
H -2.008469 -3.598650 1.171723
H -4.096928 -2.305659 1.221023
H -3.695857 -2.687320 -0.466343
H -0.765398 -1.314742 -0.503234
H -1.198204 -2.914261 -1.150821
H -2.851807 -0.359304 -0.835477
H -3.053580 0.022003 0.885464
H 0.402237 -4.008260 0.463559
H 0.814670 -2.429248 1.161164
H -5.354340 -0.732230 -1.042867
H -5.547967 -0.316207 0.671395
H 2.547112 -3.251004 -0.479838
H 1.303414 -3.201424 -1.800315
H -4.611778 2.011932 0.214093
H -6.062237 1.688274 -0.779276
H -4.437133 1.594438 -1.515095
H 3.024794 0.881977 -1.768213
H 0.371380 0.801520 -1.709362
H 2.813948 2.602356 1.384430
H -1.608687 2.127359 -0.931960
H 0.822411 3.915403 2.196510
H 4.444423 0.616663 0.619942
H -1.392642 3.682519 1.029943


