%chk=000183498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183498

0 1
O -1.034914 0.081424 0.762175
O -2.433024 -1.598015 1.339813
O 4.356742 -1.625780 -0.126865
C -2.984108 -0.067178 -0.531894
C -4.389638 0.310960 -0.039037
C -4.389069 1.576356 0.848031
C -3.014482 -1.062875 -1.726337
C -4.071733 2.831094 0.008435
C -5.744467 1.707582 1.552949
C -2.193323 -0.660728 0.615382
C -3.707038 4.038915 0.881796
C -3.737194 -2.366937 -1.382697
C -1.587987 -1.341489 -2.212756
C -3.384196 5.269783 0.037385
C -0.062928 -0.342532 1.760593
C 0.884077 -1.332862 1.135116
C 2.172972 -0.926936 0.765473
C 0.473063 -2.658131 0.933362
C 3.022671 -1.878875 0.193188
C 1.348868 -3.588749 0.363845
C 2.636666 -3.211366 -0.017761
C 4.736481 -0.363868 -0.587250
C 3.925465 0.444379 -1.390655
C 6.055542 -0.019522 -0.252924
C 4.463375 1.642759 -1.869290
C 6.566559 1.179303 -0.749907
C 5.774484 2.011715 -1.551910
H -2.460483 0.868034 -0.878800
H -5.058596 0.462867 -0.907658
H -4.826517 -0.539035 0.525854
H -3.597095 1.460562 1.629835
H -3.575213 -0.555792 -2.553032
H -4.932298 3.080614 -0.639794
H -3.231151 2.611158 -0.681317
H -6.571196 1.781433 0.838551
H -5.778019 2.605466 2.181005
H -5.943636 0.848266 2.202836
H -4.541378 4.269179 1.573614
H -2.840383 3.789623 1.525334
H -3.327521 -2.833167 -0.474122
H -4.805073 -2.205650 -1.203043
H -3.646938 -3.098737 -2.192317
H -0.995358 -1.883041 -1.463248
H -1.046336 -0.417604 -2.443211
H -1.592103 -1.954764 -3.120551
H -2.533997 5.090044 -0.630269
H -3.128245 6.127201 0.669849
H -4.234567 5.565512 -0.587333
H 0.414950 0.616660 2.033605
H -0.593683 -0.766481 2.636059
H 2.508388 0.095561 0.923082
H -0.537315 -2.960334 1.224454
H 1.021985 -4.618436 0.214705
H 3.335756 -3.916663 -0.461255
H 2.911892 0.144585 -1.646210
H 6.649131 -0.683376 0.371334
H 3.853138 2.290787 -2.498412
H 7.588939 1.470383 -0.508649
H 6.182556 2.946219 -1.930256


%chk=000183498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183498

0 1
O -0.845156 0.175204 0.845580
O -2.455181 -1.458649 1.271984
O 4.394982 -1.797539 -0.001844
C -2.780188 0.141579 -0.598509
C -4.259289 0.424895 -0.221928
C -4.459929 1.591144 0.787920
C -2.642293 -0.760631 -1.881162
C -4.204944 2.972129 0.123477
C -5.877303 1.505773 1.403687
C -2.056463 -0.484442 0.588555
C -4.139876 4.164295 1.106679
C -3.354722 -2.128318 -1.762183
C -1.160036 -0.945003 -2.287783
C -3.811894 5.497476 0.399356
C -0.002208 -0.385869 1.965702
C 0.943503 -1.453157 1.459491
C 2.209649 -1.082770 0.944146
C 0.573492 -2.822090 1.502141
C 3.084946 -2.079677 0.459131
C 1.468821 -3.808626 1.031117
C 2.727379 -3.445222 0.505056
C 4.686824 -0.591656 -0.691774
C 3.781948 0.015261 -1.594506
C 5.987773 -0.075161 -0.504797
C 4.193453 1.165105 -2.304653
C 6.385498 1.071919 -1.225745
C 5.490747 1.699780 -2.124279
H -2.261271 1.091528 -0.825279
H -4.823126 0.651826 -1.150743
H -4.694264 -0.498302 0.204845
H -3.722437 1.466547 1.611120
H -3.146990 -0.182848 -2.685158
H -5.003310 3.159022 -0.626942
H -3.250008 2.941938 -0.440780
H -6.650666 1.594228 0.615440
H -6.056708 2.306131 2.143431
H -6.025833 0.536625 1.914777
H -5.103104 4.264946 1.643987
H -3.371010 3.955095 1.878633
H -2.922923 -2.733308 -0.945441
H -4.434740 -2.014839 -1.562273
H -3.243204 -2.692918 -2.706515
H -0.613297 -1.557010 -1.546312
H -0.639287 0.027203 -2.371142
H -1.090769 -1.459600 -3.263977
H -2.835259 5.442128 -0.118019
H -3.767286 6.337253 1.117096
H -4.579116 5.741982 -0.359665
H 0.534826 0.502186 2.333830
H -0.683855 -0.780341 2.738426
H 2.507587 -0.028858 0.923451
H -0.412248 -3.098778 1.889741
H 1.186055 -4.866027 1.069191
H 3.436052 -4.192304 0.135491
H 2.783224 -0.405654 -1.748245
H 6.662800 -0.578093 0.194077
H 3.497705 1.637660 -3.006874
H 7.393885 1.475452 -1.082446
H 5.801539 2.590881 -2.679684


