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	hartrees
Energy at 0K	-185.662439
Energy at 298.15K	-185.665701
HF Energy	-185.662439
Nuclear repulsion energy	71.369825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3617	3568	38.28
2	A	3355	3309	0.63
3	A	1558	1537	97.12
4	A	1526	1505	103.10
5	A	1179	1163	81.72
6	A	1032	1018	62.35
7	A	722	712	4.16
8	A	585	577	0.66
9	A	124	122	215.76

Atom	x (Å)	y (Å)	z (Å)
O1	-1.131	0.226	0.000
N2	-0.147	-0.516	0.000
N3	1.025	0.149	-0.001
H4	1.026	1.176	0.002
H5	1.877	-0.407	0.004

	O1	N2	N3	H4	H5
O1		1.2319	2.1573	2.3568	3.0732
N2	1.2319		1.3480	2.0595	2.0271
N3	2.1573	1.3480		1.0276	1.0165
H4	2.3568	2.0595	1.0276		1.7968
H5	3.0732	2.0271	1.0165	1.7968

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.399		N2	N3	H4	119.602
N2	N3	H5	117.343		H4	N3	H5	123.052

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: PBEPBE/6-31G**

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	-0.326
2	N	0.122
3	N	-0.344
4	H	0.260
5	H	0.288

	x	y	z	Total
	3.476	0.764	0.013	3.558
CHELPG
AIM
ESP

	x	y	z
x	4.537	0.047	0.001
y	0.047	2.649	0.000
z	0.001	0.000	1.296

<r²>	36.400
(<r²>)^1/2	6.033

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)