%chk=000181046.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181046

0 1
I 3.277898 -1.758918 0.864093
O 0.454088 -0.990561 -0.324408
C -0.988293 0.806188 0.187246
C -0.939906 -0.602153 -0.455425
C 1.277101 0.219561 -0.449536
C 0.298252 1.436674 -0.356557
C -2.351664 1.422646 -0.112555
C -1.888764 -1.546830 0.268359
C -3.429111 0.511757 0.513977
C -3.308508 -0.969874 0.104400
C 2.209633 0.165245 0.773559
C 1.988989 0.146499 -1.790986
C 3.225249 1.278829 0.829286
H -0.883732 0.710793 1.297444
H -1.152345 -0.579425 -1.546423
H 0.142569 1.897399 -1.345941
H 0.681540 2.237388 0.291945
H -2.514454 1.522487 -1.201167
H -2.426210 2.443340 0.302522
H -1.613129 -1.645571 1.334452
H -1.825151 -2.568550 -0.148655
H -4.432427 0.884635 0.235065
H -3.371080 0.588714 1.617386
H -4.018352 -1.571328 0.703249
H -3.627559 -1.084593 -0.950106
H 1.594706 0.121325 1.699116
H 2.627650 1.014839 -1.972081
H 2.619010 -0.756888 -1.850083
H 1.269947 0.066407 -2.614687
H 2.738187 2.265136 0.820573
H 3.837663 1.230810 1.741772
H 3.923603 1.255822 -0.019831


%chk=000181046-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181046

0 1
I 3.366988 -1.720226 1.071765
O 0.451762 -1.043746 -0.226136
C -1.004382 0.769811 0.234305
C -0.951008 -0.623659 -0.412766
C 1.304073 0.185278 -0.404374
C 0.291743 1.404098 -0.315059
C -2.369579 1.428034 -0.031443
C -1.966708 -1.582650 0.203008
C -3.481711 0.497880 0.533937
C -3.379223 -0.959293 0.002436
C 2.280697 0.237162 0.796976
C 1.997940 0.104888 -1.774126
C 3.342461 1.345452 0.735802
H -0.890738 0.624358 1.329669
H -1.161188 -0.522504 -1.505233
H 0.124212 1.818438 -1.327805
H 0.671231 2.220288 0.323432
H -2.512416 1.570314 -1.122793
H -2.435464 2.428897 0.437060
H -1.743366 -1.710360 1.280018
H -1.911586 -2.580610 -0.269137
H -4.479692 0.910684 0.290965
H -3.402553 0.484687 1.640516
H -4.138828 -1.590566 0.501164
H -3.622754 -0.966629 -1.080163
H 1.694832 0.281203 1.731006
H 2.552135 1.033753 -2.003525
H 2.698169 -0.747267 -1.803847
H 1.238801 -0.046084 -2.561609
H 2.858780 2.333753 0.603657
H 3.928809 1.374880 1.669108
H 4.043964 1.191539 -0.100805


