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	hartrees
Energy at 0K	-185.709986
Energy at 298.15K	-185.713429
HF Energy	-185.709986
Nuclear repulsion energy	72.705301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3752	3600	51.05
2	A	3511	3369	5.02
3	A	1662	1595	87.63
4	A	1627	1561	182.43
5	A	1261	1210	116.52
6	A	1146	1100	65.92
7	A	744	714	4.32
8	A	645	619	1.14
9	A	192	184	253.41

Atom	x (Å)	y (Å)	z (Å)
O1	-1.114	0.218	-0.000
N2	-0.145	-0.500	0.000
N3	1.008	0.144	0.000
H4	1.016	1.159	-0.000
H5	1.847	-0.408	-0.001

	O1	N2	N3	H4	H5
O1		1.2061	2.1232	2.3277	3.0263
N2	1.2061		1.3206	2.0242	1.9939
N3	2.1232	1.3206		1.0148	1.0043
H4	2.3277	2.0242	1.0148		1.7739
H5	3.0263	1.9939	1.0043	1.7739

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.271		N2	N3	H4	119.598
N2	N3	H5	117.463		H4	N3	H5	122.938

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: HSEh1PBE/6-311G*

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	O	-0.298
2	N	0.156
3	N	-0.567
4	H	0.339
5	H	0.370

	x	y	z	Total
	3.642	0.698	-0.002	3.708
CHELPG
AIM
ESP

	x	y	z
x	4.389	0.031	0.000
y	0.031	2.618	0.000
z	0.000	0.000	1.375

<r²>	35.666
(<r²>)^1/2	5.972

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)