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	hartrees
Energy at 0K	-131.688336
Energy at 298.15K	-131.692559
HF Energy	-131.688336
Nuclear repulsion energy	39.622576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3198	3078	108.86
2	A₁	1556	1497	0.14
3	A₁	948	913	65.39
4	E	3223	3102	3.68
4	E	3223	3102	3.67
5	E	1671	1608	9.03
5	E	1671	1608	9.03
6	E	1155	1112	34.58
6	E	1155	1112	34.57

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.543
O2	0.000	0.000	0.829
H3	0.000	0.954	-0.944
H4	0.826	-0.477	-0.944
H5	-0.826	-0.477	-0.944

	N1	O2	H3	H4	H5
N1		1.3716	1.0352	1.0352	1.0352
O2	1.3716		2.0132	2.0132	2.0132
H3	1.0352	2.0132		1.6530	1.6530
H4	1.0352	2.0132	1.6530		1.6530
H5	1.0352	2.0132	1.6530	1.6530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	112.792	O2	N1	H4	112.792
O2	N1	H5	112.792	H3	N1	H4	105.956
H3	N1	H5	105.956	H4	N1	H5	105.956

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

using model chemistry: TPSSh/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	-0.511
2	O	-0.497
3	H	0.336
4	H	0.336
5	H	0.336

	x	y	z	Total
	0.000	0.000	-5.689	5.689
CHELPG
AIM
ESP

<r²>	20.642
(<r²>)^1/2	4.543

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

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

States and conformations

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