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	hartrees
Energy at 0K	-131.645693
Energy at 298.15K	-131.649929
HF Energy	-131.645693
Nuclear repulsion energy	39.880746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	3279	52.93
2	A₁	1492	1492	20.65
3	A₁	1029	1029	41.64
4	E	3346	3346	5.13
4	E	3345	3345	4.98
5	E	1626	1626	18.81
5	E	1626	1626	18.79
6	E	1142	1142	16.91
6	E	1142	1142	16.89

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.541
O2	0.000	0.000	0.821
H3	0.000	0.955	-0.928
H4	0.827	-0.478	-0.928
H5	-0.827	-0.478	-0.928

	N1	O2	H3	H4	H5
N1		1.3615	1.0307	1.0307	1.0307
O2	1.3615		1.9926	1.9926	1.9926
H3	1.0307	1.9926		1.6544	1.6544
H4	1.0307	1.9926	1.6544		1.6544
H5	1.0307	1.9926	1.6544	1.6544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	112.064	O2	N1	H4	112.064
O2	N1	H5	112.064	H3	N1	H4	106.759
H3	N1	H5	106.759	H4	N1	H5	106.759

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

using model chemistry: M06-2X/aug-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	0.417
2	O	-0.764
3	H	0.116
4	H	0.116
5	H	0.116

	x	y	z	Total
	0.000	0.000	-5.386	5.386
CHELPG
AIM
ESP

	x	y	z
x	2.395	0.000	0.000
y	0.000	2.391	-0.001
z	0.000	-0.001	3.567

<r²>	20.409
(<r²>)^1/2	4.518

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

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