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	hartrees
Energy at 0K	-185.924068
Energy at 298.15K	-185.927445
HF Energy	-185.924068
Nuclear repulsion energy	72.385531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3697	3574	57.75
2	A	3456	3341	6.66
3	A	1599	1546	32.32
4	A	1573	1520	210.37
5	A	1219	1178	109.02
6	A	1090	1054	91.48
7	A	722	698	2.73
8	A	630	609	0.58
9	A	163	158	190.01

Atom	x (Å)	y (Å)	z (Å)
O1	-1.119	0.219	-0.000
N2	-0.145	-0.502	0.000
N3	1.014	0.145	0.000
H4	1.021	1.160	-0.000
H5	1.850	-0.412	-0.001

	O1	N2	N3	H4	H5
O1		1.2119	2.1346	2.3377	3.0356
N2	1.2119		1.3276	2.0301	1.9971
N3	2.1346	1.3276		1.0151	1.0047
H4	2.3377	2.0301	1.0151		1.7778
H5	3.0356	1.9971	1.0047	1.7778

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.329		N2	N3	H4	119.536
N2	N3	H5	117.136		H4	N3	H5	123.328

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: B3LYP/cc-pVTZ

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	-0.275
2	N	0.086
3	N	-0.108
4	H	0.136
5	H	0.162

	x	y	z	Total
	3.581	0.682	-0.001	3.646
CHELPG
AIM
ESP

	x	y	z
x	4.754	0.045	0.000
y	0.045	2.962	0.000
z	0.000	0.000	1.782

<r²>	35.979
(<r²>)^1/2	5.998

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)