%chk=000219649.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219649

0 1
I -4.530235 0.431986 0.005991
O -0.925720 -0.203084 0.337566
O -1.212571 1.493502 -1.139454
C 1.471100 0.119703 -0.096986
C 2.701441 0.930790 0.355408
C 1.740185 -1.393736 -0.205745
C 0.299977 0.407147 0.855188
C 3.827086 0.900592 -0.674839
C 2.265807 -2.041101 1.072431
C -1.606565 0.461428 -0.653922
C -2.817689 -0.337533 -1.009287
H 1.172043 0.483497 -1.116143
H 2.403435 1.983867 0.535395
H 3.072316 0.548628 1.326465
H 2.458332 -1.570879 -1.030743
H 0.796432 -1.894177 -0.507694
H 0.122412 1.487462 0.994386
H 0.391609 -0.104446 1.829971
H 3.496727 1.287526 -1.646144
H 4.200685 -0.117443 -0.836278
H 4.675371 1.513836 -0.349936
H 1.562908 -1.923684 1.905093
H 3.223200 -1.606089 1.382333
H 2.425088 -3.116154 0.930384
H -2.714275 -1.402656 -0.724195
H -3.019598 -0.286582 -2.095947


%chk=000219649-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219649

0 1
I -4.603782 0.192194 0.378401
O -0.943662 -0.236282 0.290994
O -1.391115 1.530635 -1.176350
C 1.507857 0.139447 -0.156223
C 2.722082 0.977404 0.337356
C 1.791569 -1.385594 -0.257808
C 0.303454 0.454028 0.753406
C 3.974143 0.843955 -0.556394
C 2.253396 -2.067261 1.050365
C -1.703408 0.431261 -0.663796
C -2.949030 -0.363337 -0.990676
H 1.251125 0.501554 -1.173606
H 2.421106 2.044219 0.372916
H 2.978564 0.692637 1.377838
H 2.556590 -1.548007 -1.041386
H 0.871383 -1.885845 -0.617714
H 0.106183 1.541030 0.776975
H 0.440920 0.068256 1.776707
H 3.740451 1.102819 -1.606206
H 4.379503 -0.183867 -0.544127
H 4.775837 1.522439 -0.212118
H 1.499150 -1.971930 1.853038
H 3.203317 -1.643876 1.425306
H 2.416438 -3.147595 0.883499
H -2.804635 -1.441477 -0.843685
H -3.317934 -0.114405 -1.993412


