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	hartrees
Energy at 0K	-185.822152
Energy at 298.15K	-185.825919
HF Energy	-185.822152
Nuclear repulsion energy	70.179885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3733	3589	54.32
2	A	3495	3360	18.62
3	A	1628	1565	61.47
4	A	1451	1394	107.82
5	A	1197	1151	148.71
6	A	1081	1040	64.83
7	A	715	687	65.13
8	A	589	566	1.92
9	A	574	551	315.33

Atom	x (Å)	y (Å)	z (Å)
O1	-1.159	0.228	0.000
N2	-0.137	-0.525	0.000
N3	1.042	0.155	-0.000
H4	1.058	1.175	0.000
H5	1.885	-0.404	0.001

	O1	N2	N3	H4	H5
O1		1.2695	2.2021	2.4111	3.1091
N2	1.2695		1.3602	2.0778	2.0254
N3	2.2021	1.3602		1.0207	1.0114
H4	2.4111	2.0778	1.0207		1.7824
H5	3.1091	2.0254	1.0114	1.7824

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.686		N2	N3	H4	120.879
N2	N3	H5	116.532		H4	N3	H5	122.589

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: B3LYP/SDD

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	-0.284
2	N	0.138
3	N	-0.512
4	H	0.321
5	H	0.337

	x	y	z	Total
	4.108	0.876	0.003	4.201
CHELPG
AIM
ESP

	x	y	z
x	4.598	-0.077	0.000
y	-0.077	2.439	0.000
z	0.000	0.000	1.052

<r²>	37.629
(<r²>)^1/2	6.134

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)