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	hartrees
Energy at 0K	-129.714929
Energy at 298.15K	-129.719137
HF Energy	-129.714929
Nuclear repulsion energy	38.699343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3025	2671	314.53
2	A₁	1829	1615	6.05
3	A₁	1074	948	89.80
4	E	2804	2476	241.46
4	E	2804	2476	241.48
5	E	1770	1563	3.31
5	E	1770	1563	3.32
6	E	1194	1054	29.46
6	E	1194	1054	29.46

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.518
O2	0.000	0.000	0.843
H3	0.000	0.979	-1.039
H4	0.848	-0.490	-1.039
H5	-0.848	-0.490	-1.039

	N1	O2	H3	H4	H5
N1		1.3618	1.1093	1.1093	1.1093
O2	1.3618		2.1220	2.1220	2.1220
H3	1.1093	2.1220		1.6965	1.6965
H4	1.1093	2.1220	1.6965		1.6965
H5	1.1093	2.1220	1.6965	1.6965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	117.993	O2	N1	H4	117.993
O2	N1	H5	117.993	H3	N1	H4	99.761
H3	N1	H5	99.761	H4	N1	H5	99.761

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

using model chemistry: HSEh1PBE/STO-3G

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	-0.177
2	O	-0.322
3	H	0.166
4	H	0.166
5	H	0.166

	x	y	z	Total
	0.000	0.000	-3.868	3.868
CHELPG
AIM
ESP

<r²>	20.227
(<r²>)^1/2	4.497

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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