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	hartrees
Energy at 0K	-131.518484
Energy at 298.15K	-131.522739
HF Energy	-131.518484
Nuclear repulsion energy	40.062755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2872	2831	276.37
2	A₁	1635	1612	11.38
3	A₁	1095	1079	168.83
4	E	2715	2676	195.42
4	E	2715	2676	195.45
5	E	1608	1585	1.02
5	E	1608	1585	1.02
6	E	1208	1190	52.55
6	E	1208	1190	52.55

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.510
O2	0.000	0.000	0.811
H3	0.000	0.962	-0.973
H4	0.833	-0.481	-0.973
H5	-0.833	-0.481	-0.973

	N1	O2	H3	H4	H5
N1		1.3211	1.0673	1.0673	1.0673
O2	1.3211		2.0267	2.0267	2.0267
H3	1.0673	2.0267		1.6658	1.6658
H4	1.0673	2.0267	1.6658		1.6658
H5	1.0673	2.0267	1.6658	1.6658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	115.704	O2	N1	H4	115.704
O2	N1	H5	115.704	H3	N1	H4	102.582
H3	N1	H5	102.582	H4	N1	H5	102.582

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

using model chemistry: PBEPBE/6-31G*

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	-0.373
2	O	-0.542
3	H	0.305
4	H	0.305
5	H	0.305

	x	y	z	Total
	0.000	0.000	-4.600	4.600
CHELPG
AIM
ESP

	x	y	z
x	1.994	0.000	0.000
y	0.000	1.994	-0.000
z	0.000	-0.000	3.268

<r²>	20.092
(<r²>)^1/2	4.482

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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