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	hartrees
Energy at 0K	-184.724403
Energy at 298.15K	-184.728034
HF Energy	-184.724403
Nuclear repulsion energy	70.319837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3697	3537	59.59
2	A	3470	3320	17.90
3	A	1596	1527	61.10
4	A	1387	1327	51.34
5	A	1153	1103	92.05
6	A	1000	957	89.48
7	A	718	687	31.68
8	A	566	542	1.26
9	A	430	411	328.89

Atom	x (Å)	y (Å)	z (Å)
O1	-1.145	0.234	0.000
N2	-0.143	-0.538	0.000
N3	1.038	0.157	-0.000
H4	1.004	1.174	0.001
H5	1.892	-0.379	0.001

	O1	N2	N3	H4	H5
O1		1.2646	2.1840	2.3451	3.0978
N2	1.2646		1.3704	2.0604	2.0411
N3	2.1840	1.3704		1.0170	1.0083
H4	2.3451	2.0604	1.0170		1.7885
H5	3.0978	2.0411	1.0083	1.7885

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	111.894		N2	N3	H4	118.567
N2	N3	H5	117.395		H4	N3	H5	124.037

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: B1B95/3-21G

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	-0.339
2	N	0.171
3	N	-0.524
4	H	0.336
5	H	0.356

	x	y	z	Total
	3.592	0.829	0.005	3.687
CHELPG
AIM
ESP

	x	y	z
x	3.946	-0.092	0.000
y	-0.092	2.017	0.000
z	0.000	0.000	0.753

<r²>	36.940
(<r²>)^1/2	6.078

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)