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	hartrees
Energy at 0K	-185.860136
Energy at 298.15K	-185.863447
HF Energy	-185.860136
Nuclear repulsion energy	72.221316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3711	3581	53.85
2	A	3473	3352	8.67
3	A	1618	1561	86.12
4	A	1581	1525	129.39
5	A	1228	1185	99.73
6	A	1095	1057	72.41
7	A	723	698	3.36
8	A	625	603	0.96
9	A	127	122	198.91

Atom	x (Å)	y (Å)	z (Å)
O1	-1.119	0.222	0.003
N2	-0.147	-0.507	0.001
N3	1.016	0.146	-0.020
H4	1.014	1.160	0.041
H5	1.853	-0.407	0.066

	O1	N2	N3	H4	H5
O1		1.2143	2.1360	2.3305	3.0376
N2	1.2143		1.3339	2.0321	2.0032
N3	2.1360	1.3339		1.0162	1.0064
H4	2.3305	2.0321	1.0162		1.7776
H5	3.0376	2.0032	1.0064	1.7776

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.827		N2	N3	H4	119.080
N2	N3	H5	117.045		H4	N3	H5	123.012

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: B3LYP/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	-0.303
2	N	0.105
3	N	-0.326
4	H	0.249
5	H	0.276

	x	y	z	Total
	3.440	0.737	0.200	3.524
CHELPG
AIM
ESP

	x	y	z
x	4.412	0.040	0.008
y	0.040	2.685	0.004
z	0.008	0.004	1.616

<r²>	35.780
(<r²>)^1/2	5.982

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)