%chk=000216978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216978

0 1
I -0.678771 0.909290 2.862940
I 0.836501 -2.010328 -2.417671
I -3.973279 1.261502 -2.237471
O -2.807395 1.529308 1.205747
O 3.311692 -1.254256 1.109517
O 5.473937 2.519240 -1.339154
O 3.346863 3.196023 -1.202364
N 1.063167 -1.119983 0.827494
C -0.093083 -0.563465 0.180879
C 0.829027 -2.276173 1.752298
C 2.381409 -0.667527 0.588410
C 2.526622 0.583555 -0.250533
C -0.967978 0.259204 0.888156
C -0.384864 -0.832666 -1.177925
C 3.998565 0.972413 -0.364773
C 0.598225 -3.576696 0.994229
C -2.147938 0.783538 0.288740
C -1.521579 -0.300072 -1.776318
C -2.411390 0.511976 -1.060137
C 4.154388 2.323411 -0.988774
C -4.184963 2.001937 1.045084
C -5.150774 0.851738 1.214099
H -0.038914 -2.038166 2.408473
H 1.729896 -2.365016 2.409013
H 1.939156 1.419399 0.199185
H 2.090470 0.435335 -1.265643
H 4.489322 0.961600 0.640154
H 4.569368 0.205468 -0.939519
H -0.289448 -3.533394 0.351787
H 1.451648 -3.820191 0.344962
H 0.466901 -4.414236 1.688868
H -1.726743 -0.517752 -2.835933
H -4.213085 2.712394 1.897873
H -4.289736 2.552127 0.095248
H -6.183469 1.209847 1.310404
H -5.127024 0.156867 0.362271
H -4.918253 0.265103 2.114304
H 5.634729 3.411243 -1.746719


%chk=000216978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216978

0 1
I -0.683350 1.131161 2.548372
I 0.724469 -2.118983 -2.539539
I -3.867626 1.840941 -2.684587
O -2.985775 2.069977 0.537899
O 3.001494 -1.201670 1.339011
O 5.623037 2.259557 -1.300419
O 3.697491 3.239324 -0.455126
N 0.795628 -1.076851 0.641941
C -0.260102 -0.439572 -0.090877
C 0.441809 -2.180273 1.592929
C 2.122402 -0.618933 0.635415
C 2.430467 0.632737 -0.190745
C -1.119710 0.505722 0.545719
C -0.518899 -0.743580 -1.457654
C 3.942055 0.773275 -0.433186
C 0.746295 -3.594366 1.063419
C -2.222333 1.111777 -0.125683
C -1.567881 -0.117814 -2.162807
C -2.405511 0.804423 -1.503190
C 4.349507 2.202385 -0.713351
C -4.400510 1.725452 0.905393
C -4.486801 0.653266 1.994399
H -0.630913 -2.074509 1.833411
H 1.022115 -2.004246 2.515611
H 2.068304 1.515623 0.374158
H 1.876811 0.630889 -1.145172
H 4.482972 0.425047 0.469791
H 4.292182 0.127073 -1.256451
H 0.143436 -3.844414 0.173986
H 1.814711 -3.686605 0.808294
H 0.517299 -4.332501 1.854922
H -1.722232 -0.335272 -3.221391
H -4.797833 2.692976 1.250799
H -4.950514 1.418504 -0.003483
H -5.550470 0.473006 2.239527
H -4.053392 -0.304841 1.655668
H -3.962911 0.970270 2.910524
H 5.877476 3.213644 -1.430327


