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	hartrees
Energy at 0K	-185.656081
Energy at 298.15K	-185.659390
HF Energy	-185.656081
Nuclear repulsion energy	71.345301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3594	3543	33.69
2	A	3341	3293	0.54
3	A	1562	1539	66.58
4	A	1542	1520	129.02
5	A	1191	1174	79.39
6	A	1036	1021	63.81
7	A	722	711	4.70
8	A	591	582	0.72
9	A	153	150	232.97

Atom	x (Å)	y (Å)	z (Å)
O1	-1.131	0.226	0.003
N2	-0.148	-0.516	0.002
N3	1.026	0.148	-0.024
H4	1.025	1.175	0.049
H5	1.874	-0.406	0.080

	O1	N2	N3	H4	H5
O1		1.2318	2.1579	2.3563	3.0714
N2	1.2318		1.3488	2.0592	2.0263
N3	2.1579	1.3488		1.0296	1.0185
H4	2.3563	2.0592	1.0296		1.7947
H5	3.0714	2.0263	1.0185	1.7947

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.408		N2	N3	H4	119.337
N2	N3	H5	117.046		H4	N3	H5	122.393

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: PBEPBE/6-31G*

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	-0.325
2	N	0.136
3	N	-0.477
4	H	0.319
5	H	0.348

	x	y	z	Total
	3.453	0.758	0.265	3.545
CHELPG
AIM
ESP

	x	y	z
x	4.515	0.048	0.014
y	0.048	2.626	0.006
z	0.014	0.006	1.283

<r²>	36.425
(<r²>)^1/2	6.035

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)