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	hartrees
Energy at 0K	-185.782458
Energy at 298.15K	-185.785775
HF Energy	-185.782458
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3764	3570	61.75
2	A	3545	3362	16.68
3	A	1674	1588	118.35
4	A	1618	1534	135.60
5	A	1259	1194	114.33
6	A	1139	1080	62.18
7	A	726	689	6.08
8	A	638	605	1.78
9	A	125	119	278.62

Atom	x (Å)	y (Å)	z (Å)
O1	-1.091	0.235	-0.016
N2	-0.166	-0.527	0.035
N3	1.021	0.165	-0.054
H4	0.965	1.117	0.216
H5	1.777	-0.463	0.045

	O1	N2	N3	H4	H5
O1		1.1992	2.1131	2.2487	2.9519
N2	1.1992		1.3771	2.0034	1.9441
N3	2.1131	1.3771		0.9904	0.9880
H4	2.2487	2.0034	0.9904		1.7841
H5	2.9519	1.9441	0.9880	1.7841

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	110.023		N2	N3	H4	114.626
N2	N3	H5	109.473		H4	N3	H5	128.797

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: wB97X-D/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	-0.364
2	N	0.176
3	N	-0.542
4	H	0.354
5	H	0.375

	x	y	z	Total
	3.626	0.756	0.274	3.715
CHELPG
AIM
ESP

	x	y	z
x	4.171	-0.026	0.001
y	-0.026	2.380	0.004
z	0.001	0.004	1.268

<r²>	35.686
(<r²>)^1/2	5.974

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)