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	hartrees
Energy at 0K	-183.097218
Energy at 298.15K	-183.100699
HF Energy	-183.022501
Nuclear repulsion energy	67.139322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3759	3759	1.54
2	A	3519	3519	4.63
3	A	1753	1753	17.19
4	A	1538	1538	13.20
5	A	1271	1271	25.83
6	A	1043	1043	6.36
7	A	723	723	240.56
8	A	574	574	19.04
9	A	396	396	32.00

Atom	x (Å)	y (Å)	z (Å)
O1	-1.165	0.268	0.011
N2	-0.191	-0.576	0.010
N3	1.119	0.162	-0.130
H4	1.011	1.128	0.297
H5	1.813	-0.375	0.459

	O1	N2	N3	H4	H5
O1		1.2889	2.2902	2.3573	3.0794
N2	1.2889		1.5094	2.1049	2.0634
N3	2.2902	1.5094		1.0614	1.0570
H4	2.3573	2.1049	1.0614		1.7111
H5	3.0794	2.0634	1.0570	1.7111

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	109.603		N2	N3	H4	108.674
N2	N3	H5	105.681		H4	N3	H5	107.753

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: B2PLYP/STO-3G

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	-0.086
2	N	0.033
3	N	-0.296
4	H	0.170
5	H	0.179

	x	y	z	Total
	1.327	0.804	1.436	2.114
CHELPG
AIM
ESP

	x	y	z
x	2.934	-0.112	0.144
y	-0.112	1.324	0.016
z	0.144	0.016	0.621

<r²>	38.659
(<r²>)^1/2	6.218

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: B2PLYP/STO-3G

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)