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	hartrees
Energy at 0K	-131.022213
Energy at 298.15K	-131.026478
HF Energy	-131.022213
Nuclear repulsion energy	40.572737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2820	2789	324.08
2	A₁	1573	1556	11.27
3	A₁	1200	1187	223.16
4	E	2610	2581	232.23
4	E	2610	2581	232.27
5	E	1513	1497	3.80
5	E	1513	1497	3.81
6	E	1205	1192	35.71
6	E	1205	1192	35.71

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.491
O2	0.000	0.000	0.797
H3	0.000	0.960	-0.979
H4	0.832	-0.480	-0.979
H5	-0.832	-0.480	-0.979

	N1	O2	H3	H4	H5
N1		1.2878	1.0772	1.0772	1.0772
O2	1.2878		2.0189	2.0189	2.0189
H3	1.0772	2.0189		1.6634	1.6634
H4	1.0772	2.0189	1.6634		1.6634
H5	1.0772	2.0189	1.6634	1.6634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	116.938	O2	N1	H4	116.938
O2	N1	H5	116.938	H3	N1	H4	101.078
H3	N1	H5	101.078	H4	N1	H5	101.078

All results from a given calculation for NH₃O (Ammonia Oxide)

using model chemistry: LSDA/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	0.165
2	O	-0.499
3	H	0.111
4	H	0.111
5	H	0.111

	x	y	z	Total
	0.000	0.000	-4.451	4.451
CHELPG
AIM
ESP

	x	y	z
x	2.037	0.000	0.000
y	0.000	2.037	-0.000
z	0.000	-0.000	3.400

<r²>	19.837
(<r²>)^1/2	4.454

All results from a given calculation for NH3O (Ammonia Oxide)

using model chemistry: LSDA/cc-pVDZ

States and conformations

All results from a given calculation for NH₃O (Ammonia Oxide)