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	hartrees
Energy at 0K	-185.821969
Energy at 298.15K	-185.825254
HF Energy	-185.821969
Nuclear repulsion energy	72.744824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3756	3756	87.19
2	A	3522	3522	24.76
3	A	1689	1689	155.18
4	A	1595	1595	137.75
5	A	1250	1250	135.85
6	A	1139	1139	77.48
7	A	714	714	3.47
8	A	657	657	1.54
9	A	97	97	245.00

Atom	x (Å)	y (Å)	z (Å)
O1	-1.110	0.219	0.000
N2	-0.148	-0.502	0.000
N3	1.009	0.144	-0.001
H4	1.006	1.159	0.002
H5	1.847	-0.410	0.002

	O1	N2	N3	H4	H5
O1		1.2023	2.1196	2.3153	3.0232
N2	1.2023		1.3250	2.0228	1.9974
N3	2.1196	1.3250		1.0146	1.0052
H4	2.3153	2.0228	1.0146		1.7798
H5	3.0232	1.9974	1.0052	1.7798

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.914		N2	N3	H4	119.078
N2	N3	H5	117.343		H4	N3	H5	123.577

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: M06-2X/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	-0.304
2	N	0.144
3	N	-0.348
4	H	0.242
5	H	0.265

	x	y	z	Total
	3.579	0.663	0.009	3.640
CHELPG
AIM
ESP

	x	y	z
x	4.314	-0.034	0.000
y	-0.034	2.527	0.000
z	0.000	0.000	1.428

<r²>	35.650
(<r²>)^1/2	5.971

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: M06-2X/6-311G**

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)