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	hartrees
Energy at 0K	-184.775962
Energy at 298.15K	-184.779848
HF Energy	-184.775962
Nuclear repulsion energy	72.162781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4010	3610	93.41
2	A	3803	3424	64.46
3	A	1801	1622	69.86
4	A	1673	1506	202.82
5	A	1346	1212	264.96
6	A	1257	1131	79.16
7	A	738	664	107.14
8	A	669	603	5.80
9	A	618	556	392.58

Atom	x (Å)	y (Å)	z (Å)
O1	-1.133	0.216	0.000
N2	-0.137	-0.499	0.000
N3	1.019	0.146	-0.000
H4	1.040	1.144	0.001
H5	1.844	-0.404	0.001

	O1	N2	N3	H4	H5
O1		1.2262	2.1531	2.3625	3.0405
N2	1.2262		1.3234	2.0204	1.9827
N3	2.1531	1.3234		0.9981	0.9912
H4	2.3625	2.0204	0.9981		1.7440
H5	3.0405	1.9827	0.9912	1.7440

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	115.182		N2	N3	H4	120.349
N2	N3	H5	117.154		H4	N3	H5	122.497

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: HF/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	-0.373
2	N	0.259
3	N	-0.656
4	H	0.379
5	H	0.391

	x	y	z	Total
	4.266	0.662	0.005	4.317
CHELPG
AIM
ESP

	x	y	z
x	4.111	-0.275	0.000
y	-0.275	2.133	0.000
z	0.000	0.000	1.004

<r²>	36.515
(<r²>)^1/2	6.043

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)