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	hartrees
Energy at 0K	-131.620814
Energy at 298.15K	-131.625040
HF Energy	-131.620814
Nuclear repulsion energy	39.754077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3060	3007	201.12
2	A₁	1558	1531	3.48
3	A₁	955	939	120.50
4	E	3037	2984	26.09
4	E	3037	2984	26.10
5	E	1624	1596	4.79
5	E	1624	1596	4.79
6	E	1168	1148	39.43
6	E	1168	1148	39.43

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.532
O2	0.000	0.000	0.823
H3	0.000	0.956	-0.953
H4	0.828	-0.478	-0.953
H5	-0.828	-0.478	-0.953

	N1	O2	H3	H4	H5
N1		1.3556	1.0446	1.0446	1.0446
O2	1.3556		2.0171	2.0171	2.0171
H3	1.0446	2.0171		1.6562	1.6562
H4	1.0446	2.0171	1.6562		1.6562
H5	1.0446	2.0171	1.6562	1.6562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	113.158	O2	N1	H4	113.158
O2	N1	H5	113.158	H3	N1	H4	105.546
H3	N1	H5	105.546	H4	N1	H5	105.546

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

using model chemistry: B97D3/6-31+G**

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	-0.492
2	O	-0.477
3	H	0.323
4	H	0.323
5	H	0.323

	x	y	z	Total
	0.000	0.000	-5.510	5.510
CHELPG
AIM
ESP

	x	y	z
x	2.225	0.000	0.000
y	0.000	2.225	-0.000
z	0.000	-0.000	3.551

<r²>	20.612
(<r²>)^1/2	4.540

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

using model chemistry: B97D3/6-31+G**

States and conformations

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