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	hartrees
Energy at 0K	-183.768074
Energy at 298.15K	-183.771797
HF Energy	-183.768074
Nuclear repulsion energy	71.721219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3923	3553	93.41
2	A	3726	3375	50.73
3	A	1747	1582	62.44
4	A	1552	1405	78.76
5	A	1254	1135	111.30
6	A	1089	986	193.59
7	A	721	653	40.56
8	A	644	583	2.96
9	A	444	402	421.12

Atom	x (Å)	y (Å)	z (Å)
O1	-1.129	0.225	-0.000
N2	-0.147	-0.514	0.000
N3	1.026	0.149	-0.000
H4	1.015	1.149	0.001
H5	1.856	-0.396	0.000

	O1	N2	N3	H4	H5
O1		1.2284	2.1563	2.3344	3.0485
N2	1.2284		1.3476	2.0284	2.0064
N3	2.1563	1.3476		0.9997	0.9929
H4	2.3344	2.0284	0.9997		1.7591
H5	3.0485	2.0064	0.9929	1.7591

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.588		N2	N3	H4	118.820
N2	N3	H5	117.213		H4	N3	H5	123.966

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: HF/3-21G

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	-0.419
2	N	0.286
3	N	-0.622
4	H	0.372
5	H	0.383

	x	y	z	Total
	3.712	0.629	0.003	3.765
CHELPG
AIM
ESP

	x	y	z
x	3.636	-0.254	0.000
y	-0.254	1.796	0.000
z	0.000	0.000	0.721

<r²>	36.305
(<r²>)^1/2	6.025

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: HF/3-21G

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)