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	hartrees
Energy at 0K	-184.701615
Energy at 298.15K	-184.705241
HF Energy	-184.701615
Nuclear repulsion energy	70.238801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3704	3551	80.58
2	A	3472	3329	33.25
3	A	1595	1529	63.27
4	A	1418	1360	60.93
5	A	1168	1120	107.80
6	A	1034	991	90.50
7	A	703	674	34.87
8	A	587	563	2.08
9	A	408	391	350.92

Atom	x (Å)	y (Å)	z (Å)
O1	-1.146	0.234	-0.000
N2	-0.144	-0.538	0.000
N3	1.039	0.157	0.000
H4	1.004	1.176	-0.000
H5	1.895	-0.381	-0.001

	O1	N2	N3	H4	H5
O1		1.2648	2.1865	2.3470	3.1026
N2	1.2648		1.3727	2.0631	2.0454
N3	2.1865	1.3727		1.0194	1.0112
H4	2.3470	2.0631	1.0194		1.7943
H5	3.1026	2.0454	1.0112	1.7943

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	111.929		N2	N3	H4	118.444
N2	N3	H5	117.378		H4	N3	H5	124.178

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: M06-2X/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	-0.346
2	N	0.186
3	N	-0.535
4	H	0.339
5	H	0.356

	x	y	z	Total
	3.607	0.788	-0.004	3.692
CHELPG
AIM
ESP

	x	y	z
x	3.926	-0.128	0.000
y	-0.128	1.989	0.000
z	0.000	0.000	0.745

<r²>	37.116
(<r²>)^1/2	6.092

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)