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	hartrees
Energy at 0K	-185.820966
Energy at 298.15K	-185.824465
HF Energy	-185.820966
Nuclear repulsion energy	71.791759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3573	42.33
2	A	3360	3312	1.04
3	A	1564	1541	16.19
4	A	1526	1504	211.22
5	A	1185	1168	87.93
6	A	1006	992	116.82
7	A	712	702	2.37
8	A	607	598	0.01
9	A	275	271	212.32

Atom	x (Å)	y (Å)	z (Å)
O1	-1.128	0.222	-0.000
N2	-0.150	-0.505	-0.000
N3	1.024	0.145	0.000
H4	1.050	1.166	-0.000
H5	1.859	-0.423	-0.001

	O1	N2	N3	H4	H5
O1		1.2194	2.1533	2.3741	3.0560
N2	1.2194		1.3417	2.0577	2.0103
N3	2.1533	1.3417		1.0216	1.0102
H4	2.3741	2.0577	1.0216		1.7835
H5	3.0560	2.0103	1.0102	1.7835

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.365		N2	N3	H4	120.478
N2	N3	H5	116.766		H4	N3	H5	122.756

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: B97D3/TZVP

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	-0.225
2	N	0.041
3	N	-0.257
4	H	0.206
5	H	0.235

	x	y	z	Total
	3.627	0.751	-0.002	3.704
CHELPG
AIM
ESP

	x	y	z
x	5.061	0.068	0.000
y	0.068	3.122	-0.000
z	0.000	-0.000	1.856

<r²>	36.501
(<r²>)^1/2	6.042

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)