%chk=000291956.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291956

0 1
I 0.456871 -2.199495 -1.184109
O -2.325922 -0.573657 0.776031
O -2.542322 0.321368 -1.299116
O 4.151611 -0.431588 -0.282125
O 2.495786 -1.767450 -0.913812
N 2.990896 -0.719401 -0.450664
C -0.478347 0.575889 -0.040796
C 0.608149 -0.235323 -0.339551
C 1.910855 0.230336 -0.092789
C -0.259959 1.852012 0.507720
C 2.143042 1.497710 0.450478
C 1.041564 2.306039 0.748750
C -1.875411 0.119333 -0.315499
C -3.675836 -1.144617 0.720622
C -4.708250 -0.057162 0.922977
H -1.114510 2.491343 0.745419
H 3.167583 1.836859 0.633049
H 1.198688 3.299425 1.173399
H -3.791281 -1.671763 -0.242986
H -3.622511 -1.862752 1.560210
H -5.715468 -0.477705 1.033548
H -4.497777 0.541030 1.818580
H -4.734452 0.633167 0.065866


%chk=000291956-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291956

0 1
I 0.140428 -2.345496 -0.744108
O -2.380434 -0.742244 0.381588
O -2.759953 1.169986 -0.895544
O 4.128233 -0.363571 -0.505532
O 2.928621 -1.896795 0.685851
N 3.044527 -0.778670 0.061864
C -0.502873 0.661915 -0.137474
C 0.535109 -0.314774 -0.170602
C 1.868978 0.137661 0.022803
C -0.178185 2.034706 0.034793
C 2.183614 1.504068 0.198337
C 1.152630 2.458911 0.202913
C -1.978589 0.395468 -0.290006
C -3.830629 -1.112263 0.291944
C -4.624131 -0.442643 1.415706
H -1.001037 2.756039 0.020222
H 3.233278 1.787403 0.315484
H 1.384055 3.519537 0.334532
H -4.205027 -0.816226 -0.703516
H -3.815844 -2.209657 0.387432
H -5.667384 -0.808633 1.399341
H -4.190098 -0.683655 2.401074
H -4.642290 0.652530 1.288099


