%chk=000181047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181047

0 1
I -0.135854 -2.972244 1.574337
O -2.069707 -1.359316 -0.250341
O 1.392924 0.417698 1.260351
C -3.257162 0.654744 0.127989
C -3.218712 -0.619435 -0.751036
C -1.767975 1.006858 0.220186
C -4.260571 1.626840 -0.485438
C -1.085160 -0.389040 0.226956
C -4.525946 -1.388400 -0.624053
C -5.642220 0.938007 -0.488407
C -5.642551 -0.459427 -1.140411
C -0.686180 -0.854914 1.627328
C 0.441750 -0.028653 2.234223
C 2.406995 -0.554979 0.886313
C 3.587571 0.227947 0.378242
C 3.635950 1.624401 0.474796
C 4.659463 -0.471433 -0.199150
C 4.751167 2.318921 -0.002491
C 5.771610 0.228397 -0.672541
C 5.820131 1.623522 -0.575375
H -3.611805 0.387405 1.155056
H -2.989229 -0.394308 -1.815799
H -1.425646 1.600188 -0.645108
H -1.525899 1.607693 1.108237
H -3.966243 1.909829 -1.512672
H -4.304296 2.568741 0.089551
H -0.232704 -0.441477 -0.482663
H -4.706950 -1.694709 0.422446
H -4.491626 -2.327792 -1.205598
H -6.372207 1.582654 -1.013013
H -6.005773 0.851709 0.554199
H -6.624726 -0.939506 -0.970052
H -5.544464 -0.349908 -2.238386
H -1.574769 -0.861707 2.296257
H 0.948713 -0.549161 3.067791
H 0.049054 0.944663 2.605721
H 1.967801 -1.197944 0.097592
H 2.680770 -1.175124 1.760477
H 2.796158 2.159919 0.921343
H 4.627107 -1.555918 -0.280483
H 4.785597 3.404276 0.072897
H 6.602774 -0.314236 -1.119495
H 6.687639 2.165117 -0.945779


%chk=000181047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181047

0 1
I 0.035055 -3.167164 1.852839
O -2.329365 -1.532214 0.219635
O 1.404361 0.367277 1.381868
C -3.356983 0.597698 0.237523
C -3.272476 -0.711855 -0.567470
C -1.870908 0.852834 0.591233
C -4.161394 1.650282 -0.545830
C -1.231347 -0.595126 0.582217
C -4.641576 -1.352641 -0.766748
C -5.575320 1.069867 -0.838816
C -5.528810 -0.323048 -1.527915
C -0.645094 -1.017319 1.931606
C 0.497002 -0.102923 2.424547
C 2.538756 -0.518947 1.066010
C 3.616947 0.286835 0.362137
C 3.752911 1.680261 0.573912
C 4.529774 -0.373429 -0.498282
C 4.791888 2.399591 -0.059028
C 5.573643 0.343560 -1.124653
C 5.708482 1.734521 -0.906274
H -3.906011 0.361159 1.172774
H -2.816990 -0.496326 -1.564427
H -1.369422 1.480623 -0.166678
H -1.763863 1.359960 1.565703
H -3.642510 1.889206 -1.497302
H -4.249586 2.597561 0.020326
H -0.445558 -0.646323 -0.195611
H -5.082403 -1.593777 0.220074
H -4.563749 -2.295758 -1.337936
H -6.150254 1.774498 -1.470078
H -6.125491 0.979355 0.120523
H -6.556116 -0.721280 -1.629448
H -5.132741 -0.203657 -2.557567
H -1.438852 -1.073548 2.697876
H 1.051446 -0.589663 3.252652
H 0.035871 0.824811 2.816479
H 2.207641 -1.363251 0.429991
H 2.930243 -0.952385 2.013999
H 3.030254 2.187791 1.219835
H 4.423611 -1.450480 -0.681414
H 4.886152 3.478885 0.107807
H 6.273313 -0.179063 -1.786725
H 6.514270 2.293499 -1.395366


