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	hartrees
Energy at 0K	-131.667275
Energy at 298.15K	-131.671507
HF Energy	-131.667275
Nuclear repulsion energy	39.814165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	3100	40.34
2	A₁	1565	1481	2.25
3	A₁	975	923	37.50
4	E	3326	3147	0.95
4	E	3326	3147	0.92
5	E	1637	1549	11.38
5	E	1637	1549	11.40
6	E	1163	1101	29.43
6	E	1163	1100	29.36

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.540
O2	0.000	0.000	0.825
H3	0.000	0.949	-0.939
H4	0.822	-0.474	-0.939
H5	-0.822	-0.474	-0.939

	N1	O2	H3	H4	H5
N1		1.3651	1.0291	1.0291	1.0291
O2	1.3651		2.0027	2.0027	2.0027
H3	1.0291	2.0027		1.6433	1.6433
H4	1.0291	2.0027	1.6433		1.6433
H5	1.0291	2.0027	1.6433	1.6433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	112.783	O2	N1	H4	112.783
O2	N1	H5	112.783	H3	N1	H4	105.966
H3	N1	H5	105.966	H4	N1	H5	105.966

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

using model chemistry: M06-2X/TZVP

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	-0.145
2	O	-0.595
3	H	0.246
4	H	0.246
5	H	0.246

	x	y	z	Total
	0.000	0.000	-5.675	5.675
CHELPG
AIM
ESP

	x	y	z
x	1.748	0.000	0.000
y	0.000	1.746	-0.001
z	0.000	-0.001	3.014

<r²>	20.332
(<r²>)^1/2	4.509

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

using model chemistry: M06-2X/TZVP

States and conformations

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