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	hartrees
Energy at 0K	-183.324384
Energy at 298.15K	-183.327884
HF Energy	-183.324384
Nuclear repulsion energy	67.881640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3792	3333	1.41
2	A	3541	3112	5.31
3	A	1727	1518	20.09
4	A	1668	1466	25.20
5	A	1270	1116	31.17
6	A	1048	921	11.28
7	A	661	581	209.33
8	A	584	513	51.30
9	A	437	384	34.48

Atom	x (Å)	y (Å)	z (Å)
O1	-1.156	0.262	0.011
N2	-0.189	-0.564	0.009
N3	1.102	0.157	-0.120
H4	1.032	1.137	0.271
H5	1.825	-0.388	0.417

	O1	N2	N3	H4	H5
O1		1.2720	2.2649	2.3710	3.0783
N2	1.2720		1.4853	2.1104	2.0629
N3	2.2649	1.4853		1.0570	1.0524
H4	2.3710	2.1104	1.0570		1.7243
H5	3.0783	2.0629	1.0524	1.7243

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	110.219		N2	N3	H4	111.104
N2	N3	H5	107.538		H4	N3	H5	109.663

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: mPW1PW91/STO-3G

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	-0.102
2	N	0.026
3	N	-0.308
4	H	0.187
5	H	0.197

	x	y	z	Total
	1.674	0.856	1.361	2.321
CHELPG
AIM
ESP

	x	y	z
x	2.883	-0.128	0.120
y	-0.128	1.310	0.012
z	0.120	0.012	0.579

<r²>	38.061
(<r²>)^1/2	6.169

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)