%chk=000214260.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214260

0 1
I -6.549948 -3.600789 0.828034
O -2.088897 1.290405 -2.300025
O -3.961010 1.969344 0.488268
O -5.168264 -0.379937 -0.329706
O 7.040474 -2.016918 -0.370878
O -3.613895 -1.418732 0.952391
C -0.902768 0.869230 -0.150684
C 0.346042 1.732407 -0.516192
C 1.583480 1.251047 0.253055
C 1.872929 -0.213502 -0.183452
C -2.023260 1.666104 -0.912837
C -0.651524 -0.564081 -0.637154
C 3.123531 -0.795680 0.555151
C 0.634779 -1.119871 -0.002683
C -0.139162 3.181887 -0.335571
C -1.620385 3.153589 -0.775548
C 2.802473 2.136396 -0.047672
C -1.238419 0.867968 1.344877
C 4.307651 0.163297 0.416033
C 4.044894 1.620307 0.681734
C 3.466915 -2.162453 -0.100491
C 2.869119 -0.982601 2.061257
C -3.443591 1.351900 -0.407760
C 4.847314 -2.687888 0.283744
C 5.555005 -0.255195 0.145652
C 5.928394 -1.672035 -0.028806
C -4.113914 0.194970 -1.136331
C -4.776982 -1.190655 0.719340
C -5.998805 -1.635035 1.444872
H 0.559951 1.589625 -1.607733
H 1.375843 1.275156 1.350173
H 2.120533 -0.191820 -1.275122
H -0.590594 -0.598061 -1.740097
H -1.507281 -1.217386 -0.360633
H 0.453163 -1.294783 1.077198
H 0.839249 -2.117932 -0.436247
H 0.449883 3.891902 -0.935929
H -0.046171 3.508290 0.714584
H -2.265203 3.662221 -0.032744
H -1.777479 3.684643 -1.729103
H 2.599241 3.180897 0.256375
H 2.995646 2.171518 -1.137670
H -2.008169 0.115166 1.578416
H -0.360135 0.622107 1.953360
H -1.613572 1.837153 1.693968
H 3.930264 1.760330 1.779323
H 4.921655 2.240994 0.401643
H 3.413460 -2.065182 -1.204114
H 2.698862 -2.911195 0.174462
H 2.103891 -1.745289 2.247029
H 3.778551 -1.301288 2.583711
H 2.524040 -0.054984 2.531573
H -1.242335 1.494457 -2.751116
H 5.063445 -3.640623 -0.241201
H 4.894907 -2.934822 1.364157
H 6.391833 0.437801 0.041828
H -3.391580 -0.591324 -1.433354
H -4.657485 0.554262 -2.034838
H -6.864426 -0.967140 1.253530
H -5.823865 -1.656671 2.538553


%chk=000214260-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214260

0 1
I -7.170667 -3.427634 0.393072
O -1.975046 1.205157 -2.304900
O -4.046244 1.791727 0.492837
O -5.353559 -0.378465 -0.612578
O 7.164747 -1.974371 -0.752257
O -4.044593 -1.356738 1.053861
C -0.911807 0.827688 -0.016881
C 0.329098 1.703578 -0.390916
C 1.628928 1.263213 0.315307
C 1.913516 -0.232999 -0.037855
C -2.027388 1.584939 -0.872903
C -0.629078 -0.639663 -0.411720
C 3.253795 -0.790926 0.600657
C 0.684079 -1.141514 0.249810
C -0.176004 3.157928 -0.224309
C -1.675663 3.094286 -0.669648
C 2.822511 2.150050 -0.102293
C -1.272840 0.917467 1.491817
C 4.400513 0.188947 0.288892
C 4.139199 1.661344 0.546322
C 3.561094 -2.185292 -0.032178
C 3.140767 -0.927008 2.153499
C -3.454675 1.219238 -0.453321
C 5.009260 -2.670299 0.186271
C 5.628532 -0.224873 -0.163123
C 6.025769 -1.640267 -0.301793
C -4.114094 0.088705 -1.259027
C -5.169928 -1.083680 0.575546
C -6.500555 -1.464261 1.176275
H 0.525486 1.541102 -1.481349
H 1.491431 1.367179 1.412175
H 2.079213 -0.252270 -1.141343
H -0.543991 -0.722953 -1.513750
H -1.463368 -1.294272 -0.094387
H 0.525317 -1.227630 1.341036
H 0.884446 -2.164567 -0.117560
H 0.402550 3.877491 -0.829126
H -0.091295 3.475618 0.831604
H -2.347561 3.529581 0.089513
H -1.858214 3.630994 -1.617441
H 2.639381 3.202229 0.187089
H 2.925572 2.129225 -1.207219
H -2.081091 0.205071 1.731653
H -0.406401 0.665012 2.125619
H -1.621818 1.921840 1.784125
H 4.065493 1.824437 1.642927
H 4.996068 2.264382 0.194871
H 3.373633 -2.123447 -1.123677
H 2.861248 -2.938763 0.373152
H 2.394607 -1.693083 2.427843
H 4.108869 -1.229277 2.590693
H 2.843793 0.022149 2.633141
H -1.062580 1.377279 -2.647233
H 5.197807 -3.627713 -0.330834
H 5.203049 -2.850572 1.263764
H 6.408302 0.510473 -0.402002
H -3.407067 -0.746014 -1.399612
H -4.422054 0.462505 -2.247787
H -7.292586 -0.755455 0.904033
H -6.409609 -1.605326 2.260223


