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	hartrees
Energy at 0K	-131.671073
Energy at 298.15K	-131.675311
HF Energy	-131.671073
Nuclear repulsion energy	39.979605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3268	3121	49.74
2	A₁	1538	1469	9.23
3	A₁	1004	959	42.50
4	E	3311	3163	0.86
4	E	3311	3162	0.80
5	E	1663	1589	14.02
5	E	1663	1589	13.98
6	E	1158	1106	18.55
6	E	1157	1106	18.44

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.537
O2	0.000	0.000	0.820
H3	0.000	0.949	-0.935
H4	0.821	-0.474	-0.935
H5	-0.821	-0.474	-0.935

	N1	O2	H3	H4	H5
N1		1.3566	1.0288	1.0288	1.0288
O2	1.3566		1.9948	1.9948	1.9948
H3	1.0288	1.9948		1.6430	1.6430
H4	1.0288	1.9948	1.6430		1.6430
H5	1.0288	1.9948	1.6430	1.6430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	112.773	O2	N1	H4	112.773
O2	N1	H5	112.773	H3	N1	H4	105.976
H3	N1	H5	105.976	H4	N1	H5	105.977

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

using model chemistry: M06-2X/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	0.113
2	O	-0.597
3	H	0.161
4	H	0.161
5	H	0.161

	x	y	z	Total
	0.000	0.000	-5.298	5.298
CHELPG
AIM
ESP

	x	y	z
x	1.833	0.000	0.000
y	0.000	1.831	-0.000
z	0.000	-0.000	3.032

<r²>	20.084
(<r²>)^1/2	4.481

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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