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	hartrees
Energy at 0K	-184.921614
Energy at 298.15K	-184.925080
HF Energy	-184.921614
Nuclear repulsion energy	74.034124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3953	3591	81.97
2	A	3754	3410	41.17
3	A	1835	1667	192.23
4	A	1756	1595	156.16
5	A	1363	1238	162.73
6	A	1240	1127	147.26
7	A	741	673	5.17
8	A	704	640	2.95
9	A	173	157	271.54

Atom	x (Å)	y (Å)	z (Å)
O1	-1.095	0.212	0.003
N2	-0.148	-0.483	0.003
N3	0.998	0.139	-0.027
H4	1.012	1.131	0.058
H5	1.807	-0.418	0.087

	O1	N2	N3	H4	H5
O1		1.1752	2.0946	2.2993	2.9709
N2	1.1752		1.3045	1.9888	1.9581
N3	2.0946	1.3045		0.9957	0.9884
H4	2.2993	1.9888	0.9957		1.7408
H5	2.9709	1.9581	0.9884	1.7408

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	115.180		N2	N3	H4	119.070
N2	N3	H5	116.613		H4	N3	H5	122.651

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: HF/aug-cc-pVQZ

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	-0.492
2	N	0.275
3	N	-0.370
4	H	0.279
5	H	0.308

	x	y	z	Total
	3.588	0.612	0.312	3.653
CHELPG
AIM
ESP

	x	y	z
x	4.559	-0.113	-0.017
y	-0.113	2.986	0.002
z	-0.017	0.002	2.391

<r²>	35.015
(<r²>)^1/2	5.917

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: HF/aug-cc-pVQZ

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)