%chk=000181048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181048

0 1
I 0.004716 3.302841 1.096260
O 2.183439 1.416554 -0.337857
O -1.363787 -0.156662 1.263098
C 3.031749 -0.784577 -0.335946
C 3.442718 0.701657 -0.187319
C 1.734243 -0.828050 0.480666
C 4.227245 -1.653538 0.042676
C 1.130421 0.582580 0.229636
C 4.466323 1.077060 -1.248824
C 5.380888 -1.316536 -0.926152
C 5.703644 0.188700 -1.012451
C 0.641210 1.253054 1.515336
C -0.481653 0.478500 2.196443
C -2.401274 0.693178 0.702422
C -3.571175 -0.198706 0.383786
C -3.578271 -1.552705 0.741808
C -4.674468 0.353975 -0.286131
C -4.683657 -2.350715 0.433214
C -5.776350 -0.448476 -0.590523
C -5.783669 -1.801080 -0.231848
H 2.771125 -0.990751 -1.405176
H 3.815170 0.942550 0.831566
H 1.042687 -1.617021 0.142981
H 1.927173 -1.025570 1.546271
H 3.974090 -2.726719 -0.024264
H 4.535895 -1.476602 1.088865
H 0.339812 0.565981 -0.551040
H 4.729766 2.148597 -1.185668
H 4.054312 0.932078 -2.264681
H 5.125154 -1.690998 -1.936851
H 6.290592 -1.865752 -0.619176
H 6.208062 0.508640 -0.079714
H 6.434551 0.357381 -1.825894
H 1.490922 1.410817 2.214651
H -1.050131 1.097161 2.915180
H -0.070136 -0.406390 2.731936
H -1.975920 1.155825 -0.210319
H -2.682821 1.484987 1.421855
H -2.714448 -1.974398 1.258797
H -4.674492 1.404251 -0.570148
H -4.686045 -3.402923 0.712011
H -6.631752 -0.019478 -1.109471
H -6.643357 -2.423016 -0.471103


%chk=000181048-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181048

0 1
I -0.081806 3.501503 1.183686
O 2.350742 1.586729 -0.179612
O -1.382625 -0.095488 1.356704
C 3.015523 -0.700790 -0.328529
C 3.560090 0.729587 -0.164175
C 1.803169 -0.664479 0.626270
C 4.147881 -1.723416 -0.131231
C 1.223091 0.766450 0.359073
C 4.582230 1.081382 -1.242650
C 5.267480 -1.419797 -1.168462
C 5.749318 0.057241 -1.124684
C 0.640173 1.411983 1.623036
C -0.473173 0.570002 2.285011
C -2.539641 0.696753 0.901314
C -3.630684 -0.250580 0.432674
C -3.774426 -1.541266 0.998081
C -4.547154 0.173065 -0.561852
C -4.824444 -2.390144 0.581579
C -5.602523 -0.671983 -0.973027
C -5.745040 -1.957600 -0.401340
H 2.634598 -0.790561 -1.368024
H 4.048844 0.817083 0.835926
H 1.042769 -1.437292 0.430896
H 2.147526 -0.767555 1.675387
H 3.781813 -2.760287 -0.257154
H 4.552763 -1.643814 0.899107
H 0.446834 0.720019 -0.425790
H 4.956405 2.113983 -1.117534
H 4.103277 1.016496 -2.238689
H 4.878293 -1.642413 -2.183274
H 6.129213 -2.094737 -1.003097
H 6.285344 0.234576 -0.169324
H 6.482395 0.232758 -1.934696
H 1.439416 1.614101 2.358565
H -1.030021 1.176255 3.028369
H 0.021184 -0.265741 2.818916
H -2.243030 1.385054 0.085659
H -2.900978 1.324082 1.746926
H -3.047668 -1.872841 1.746010
H -4.435572 1.164948 -1.018187
H -4.924234 -3.388922 1.022115
H -6.305253 -0.332188 -1.742236
H -6.559601 -2.616452 -0.722832


