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	hartrees
Energy at 0K	-185.660752
Energy at 298.15K	-185.664019
HF Energy	-185.660752
Nuclear repulsion energy	72.667150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3763	3601	64.56
2	A	3523	3371	12.46
3	A	1666	1595	129.88
4	A	1591	1522	116.11
5	A	1249	1196	114.66
6	A	1137	1088	48.84
7	A	738	706	2.97
8	A	632	605	1.50
9	A	91	87	199.30

Atom	x (Å)	y (Å)	z (Å)
O1	-1.112	0.219	0.000
N2	-0.144	-0.503	0.000
N3	1.008	0.145	-0.001
H4	1.006	1.159	0.002
H5	1.847	-0.406	0.003

	O1	N2	N3	H4	H5
O1		1.2078	2.1218	2.3177	3.0251
N2	1.2078		1.3223	2.0217	1.9939
N3	2.1218	1.3223		1.0141	1.0043
H4	2.3177	2.0217	1.0141		1.7775
H5	3.0251	1.9939	1.0043	1.7775

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.915		N2	N3	H4	119.247
N2	N3	H5	117.312		H4	N3	H5	123.440

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: PBE1PBE/6-31G(2df,p)

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	-0.332
2	N	0.129
3	N	-0.364
4	H	0.270
5	H	0.297

	x	y	z	Total
	3.507	0.758	0.009	3.588
CHELPG
AIM
ESP

	x	y	z
x	4.340	0.039	0.000
y	0.039	2.654	0.000
z	0.000	0.000	1.628

<r²>	35.426
(<r²>)^1/2	5.952

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)