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	hartrees
Energy at 0K	-185.934053
Energy at 298.15K	-185.937480
HF Energy	-185.934053
Nuclear repulsion energy	72.410539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3700	3562	61.71
2	A	3463	3333	9.03
3	A	1600	1540	22.77
4	A	1573	1514	231.92
5	A	1222	1176	113.62
6	A	1097	1056	97.77
7	A	719	692	2.50
8	A	633	609	0.69
9	A	198	191	198.88

Atom	x (Å)	y (Å)	z (Å)
O1	-1.091	0.235	-0.014
N2	-0.169	-0.525	0.032
N3	1.023	0.163	-0.053
H4	0.973	1.119	0.205
H5	1.777	-0.466	0.054

	O1	N2	N3	H4	H5
O1		1.1957	2.1157	2.2560	2.9533
N2	1.1957		1.3784	2.0085	1.9465
N3	2.1157	1.3784		0.9913	0.9881
H4	2.2560	2.0085	0.9913		1.7842
H5	2.9533	1.9465	0.9881	1.7842

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	110.348		N2	N3	H4	114.915
N2	N3	H5	109.568		H4	N3	H5	128.679

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: B3LYP/Def2TZVPP

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	-0.319
2	N	0.095
3	N	-0.105
4	H	0.150
5	H	0.179

	x	y	z	Total
	3.655	0.731	-0.006	3.727
CHELPG
AIM
ESP

	x	y	z
x	4.891	0.027	0.000
y	0.027	3.084	-0.000
z	0.000	-0.000	2.010

<r²>	36.071
(<r²>)^1/2	6.006

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)