%chk=000180396.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180396

0 1
O 0.460350 0.574126 -0.729597
O -5.365703 -0.125770 0.607745
C 6.625093 -0.724820 0.519072
C 6.010983 0.689174 0.388496
C 8.014530 -0.656127 1.189326
C 6.670846 -1.426815 -0.853271
C 4.531117 0.647051 0.128955
C 9.044437 0.177280 0.431296
C 6.981434 -2.917499 -0.741698
C 3.639330 0.348154 1.166560
C 4.026267 0.910633 -1.159418
C 1.784537 0.573247 -0.345483
C 2.258304 0.307464 0.943533
C 2.659567 0.877468 -1.408764
C -1.850758 0.368448 -0.509513
C -0.547306 0.272300 0.282848
C -3.053939 0.080385 0.387884
C -4.356744 0.176697 -0.404924
C -6.688313 -0.126178 0.227807
C -7.162527 0.140628 -1.061900
C -7.559671 -0.431561 1.295504
C -8.545470 0.098554 -1.279805
C -8.926807 -0.465298 1.046124
C -9.425520 -0.201089 -0.239575
H 5.963003 -1.327017 1.191994
H 6.533989 1.249913 -0.411356
H 6.209007 1.264779 1.316084
H 8.399362 -1.689141 1.310719
H 7.902146 -0.257550 2.216620
H 7.419446 -0.934786 -1.503547
H 5.693970 -1.294619 -1.361573
H 8.760455 1.234153 0.386778
H 10.027298 0.121567 0.912210
H 9.162421 -0.175124 -0.600774
H 6.983333 -3.393906 -1.728419
H 7.964930 -3.092892 -0.290611
H 6.238846 -3.439632 -0.127804
H 4.020703 0.142654 2.166518
H 4.714035 1.143962 -1.972109
H 1.588179 0.073896 1.762531
H 2.252139 1.078783 -2.396223
H -1.813051 -0.338408 -1.364417
H -1.927719 1.376454 -0.967698
H -0.478228 1.024102 1.086852
H -0.360121 -0.740038 0.678498
H -3.091133 0.787266 1.242827
H -2.976488 -0.927623 0.846056
H -4.544681 1.189143 -0.799881
H -4.426252 -0.575148 -1.208824
H -6.493706 0.374989 -1.881080
H -7.148870 -0.632207 2.281273
H -8.933245 0.303590 -2.277719
H -9.618200 -0.698953 1.855865
H -10.496403 -0.230859 -0.420490


%chk=000180396-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180396

0 1
O 0.423992 0.522794 -0.958427
O -5.479276 -0.245617 0.699333
C 6.721032 -0.703534 0.571759
C 6.047295 0.695055 0.381909
C 8.090079 -0.566251 1.299250
C 6.805438 -1.469742 -0.775473
C 4.563439 0.634845 0.045336
C 9.183455 0.197684 0.516912
C 7.341377 -2.912972 -0.653025
C 3.613532 0.247417 1.022786
C 4.077633 0.964690 -1.248356
C 1.773752 0.528638 -0.559930
C 2.230666 0.189199 0.738141
C 2.703962 0.914142 -1.555219
C -1.952862 0.299133 -0.622753
C -0.585317 0.166250 0.051520
C -3.101963 -0.061408 0.345783
C -4.472240 0.120032 -0.311200
C -6.835043 -0.141593 0.343737
C -7.300170 0.285305 -0.925660
C -7.756978 -0.498482 1.360028
C -8.693304 0.353040 -1.164341
C -9.140244 -0.425928 1.105645
C -9.619020 0.000995 -0.158366
H 6.060296 -1.293940 1.244737
H 6.583883 1.249235 -0.412573
H 6.188640 1.270282 1.320032
H 8.469334 -1.575296 1.554321
H 7.916222 -0.052182 2.267144
H 7.439948 -0.897971 -1.483587
H 5.792471 -1.494999 -1.222883
H 8.869851 1.230987 0.280941
H 10.114463 0.260524 1.109934
H 9.429964 -0.306285 -0.435549
H 7.299501 -3.434406 -1.627174
H 8.391767 -2.932902 -0.309262
H 6.739962 -3.499099 0.067882
H 3.956579 -0.006299 2.033991
H 4.787707 1.272409 -2.025689
H 1.531529 -0.109904 1.524955
H 2.330557 1.174144 -2.550642
H -1.975783 -0.359005 -1.512574
H -2.066789 1.338431 -0.986940
H -0.505893 0.852055 0.921429
H -0.414404 -0.872977 0.404136
H -3.058059 0.575485 1.250361
H -3.006483 -1.110759 0.684913
H -4.623147 1.173641 -0.627663
H -4.577699 -0.535881 -1.200895
H -6.602482 0.561785 -1.721737
H -7.368393 -0.825161 2.329672
H -9.050747 0.684298 -2.146094
H -9.847622 -0.702831 1.895421
H -10.695205 0.056731 -0.352492


