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	hartrees
Energy at 0K	-131.671038
Energy at 298.15K	-131.675265
HF Energy	-131.671038
Nuclear repulsion energy	39.946335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3070	3023	214.98
2	A₁	1527	1503	0.25
3	A₁	957	942	133.39
4	E	3040	2994	21.83
4	E	3040	2994	21.82
5	E	1613	1588	5.44
5	E	1613	1588	5.44
6	E	1160	1142	23.60
6	E	1160	1142	23.60

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.530
O2	0.000	0.000	0.818
H3	0.000	0.955	-0.944
H4	0.827	-0.478	-0.944
H5	-0.827	-0.478	-0.944

	N1	O2	H3	H4	H5
N1		1.3485	1.0410	1.0410	1.0410
O2	1.3485		2.0042	2.0042	2.0042
H3	1.0410	2.0042		1.6549	1.6549
H4	1.0410	2.0042	1.6549		1.6549
H5	1.0410	2.0042	1.6549	1.6549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	113.390	O2	N1	H4	113.390
O2	N1	H5	113.390	H3	N1	H4	105.284
H3	N1	H5	105.284	H4	N1	H5	105.284

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

using model chemistry: B97D3/aug-cc-pVTZ

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	0.481
2	O	-0.774
3	H	0.098
4	H	0.098
5	H	0.098

	x	y	z	Total
	0.000	0.000	-4.998	4.998
CHELPG
AIM
ESP

	x	y	z
x	2.904	0.000	0.000
y	0.000	2.904	-0.000
z	0.000	-0.000	4.436

<r²>	20.495
(<r²>)^1/2	4.527

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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