%chk=000194537.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194537

0 1
O -5.015677 -1.089286 0.807230
O 4.831714 -0.979178 1.246490
C 0.343267 -0.327839 -0.020419
C -0.484438 0.922900 0.416594
C 1.782472 -0.185313 0.537764
C -1.919502 0.732654 -0.091118
C -2.570504 -0.545996 0.525151
C 2.378988 1.119034 -0.091605
C 0.147220 2.264282 -0.053804
C -0.310030 -1.657035 0.410527
C 1.631183 2.359093 0.386935
C -1.792166 -1.768726 0.016984
C 2.802161 -1.249407 0.052172
C -4.051175 -0.394169 -0.003679
C -2.954283 1.842314 0.173054
C 3.887113 1.015419 0.178344
C 4.169151 -0.512291 0.051627
C -4.321277 1.144059 0.021367
C 1.798533 -0.170740 2.074383
C -2.591864 -0.541067 2.060796
C 0.021822 2.499376 -1.563953
C -4.258840 -0.956605 -1.330162
C 4.990696 -0.829308 -1.110608
C -4.445334 -1.418210 -2.426903
C 5.669423 -1.097450 -2.068539
H 0.394874 -0.328398 -1.136892
H -0.500407 0.954397 1.534712
H -1.867201 0.584061 -1.201895
H 2.244351 1.059356 -1.204853
H -0.409572 3.085465 0.463869
H -0.209098 -1.784265 1.508036
H 0.250983 -2.498584 -0.038419
H 1.694232 2.458084 1.486486
H 2.093504 3.274111 -0.023955
H -1.884076 -1.857866 -1.082461
H -2.227161 -2.699522 0.426521
H 2.553788 -1.634397 -0.948613
H 2.848514 -2.125008 0.724269
H -2.845107 2.677968 -0.536359
H -2.834868 2.274174 1.180370
H 4.479139 1.619459 -0.523269
H 4.145295 1.361791 1.194142
H -5.004563 1.396403 0.847533
H -4.836744 1.467543 -0.898490
H 1.285950 -1.048857 2.483209
H 2.829350 -0.193065 2.457380
H 1.313128 0.720645 2.483143
H -1.571877 -0.551308 2.468155
H -3.085525 0.346648 2.467177
H -3.098471 -1.433639 2.447627
H 0.482104 1.688336 -2.140107
H -1.025460 2.569056 -1.876831
H 0.513107 3.431598 -1.862719
H -4.989825 -0.771619 1.731697
H 5.764346 -0.691875 1.271899
H -4.605871 -1.815458 -3.366488
H 6.251205 -1.328842 -2.891101


%chk=000194537-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194537

0 1
O -5.094347 -1.258215 0.643018
O 4.939855 -1.026132 1.253429
C 0.345736 -0.350908 0.089203
C -0.498230 0.929253 0.441672
C 1.817847 -0.182621 0.585143
C -1.953953 0.721157 -0.027752
C -2.619405 -0.560051 0.562880
C 2.393545 1.103847 -0.093515
C 0.134302 2.255355 -0.114883
C -0.330254 -1.667008 0.566895
C 1.633797 2.377065 0.305964
C -1.808442 -1.796189 0.115641
C 2.820485 -1.243824 0.046756
C -4.081900 -0.419463 -0.038409
C -2.994120 1.841767 0.241259
C 3.915744 1.012299 0.142889
C 4.223506 -0.534629 0.039274
C -4.379609 1.128176 0.115860
C 1.920199 -0.138978 2.135716
C -2.737986 -0.531163 2.111037
C -0.027036 2.434120 -1.648321
C -4.150459 -0.822014 -1.457228
C 5.022325 -0.863703 -1.158345
C -4.222005 -1.122490 -2.649389
C 5.709929 -1.127253 -2.147982
H 0.389897 -0.409354 -1.023395
H -0.509385 1.035686 1.547501
H -1.922065 0.558054 -1.126852
H 2.243335 0.960824 -1.186212
H -0.413453 3.094921 0.363470
H -0.275964 -1.742778 1.669157
H 0.245386 -2.527563 0.172412
H 1.711205 2.540013 1.399454
H 2.078819 3.269143 -0.179114
H -1.853661 -1.878775 -0.987972
H -2.253072 -2.724109 0.525466
H 2.549463 -1.540512 -0.983487
H 2.890562 -2.155951 0.662790
H -2.897470 2.678716 -0.471808
H -2.853888 2.262436 1.255884
H 4.496507 1.603258 -0.586342
H 4.184156 1.353230 1.159899
H -5.000969 1.287096 1.017987
H -4.962771 1.496695 -0.743468
H 1.547639 -1.082939 2.572776
H 2.970132 -0.040562 2.458251
H 1.340442 0.688365 2.580843
H -1.751353 -0.432530 2.591698
H -3.354657 0.310704 2.478507
H -3.182255 -1.475962 2.475020
H 0.402429 1.593880 -2.223163
H -1.088235 2.523497 -1.939761
H 0.484944 3.357873 -1.977417
H -5.199390 -0.910241 1.565832
H 5.878170 -0.705310 1.210520
H -4.290505 -1.397568 -3.685503
H 6.303179 -1.365734 -3.011384


