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	hartrees
Energy at 0K	-185.812913
Energy at 298.15K	-185.816455
HF Energy	-185.812913
Nuclear repulsion energy	72.463672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3765	3584	76.95
2	A	3526	3356	19.47
3	A	1651	1571	141.68
4	A	1607	1529	170.41
5	A	1253	1193	142.68
6	A	1150	1094	60.66
7	A	724	689	3.64
8	A	636	605	1.47
9	A	273	260	249.44

Atom	x (Å)	y (Å)	z (Å)
O1	-1.119	0.218	-0.000
N2	-0.141	-0.502	-0.000
N3	1.010	0.146	0.000
H4	1.019	1.161	-0.000
H5	1.848	-0.411	-0.001

	O1	N2	N3	H4	H5
O1		1.2144	2.1305	2.3371	3.0329
N2	1.2144		1.3209	2.0279	1.9909
N3	2.1305	1.3209		1.0155	1.0059
H4	2.3371	2.0279	1.0155		1.7775
H5	3.0329	1.9909	1.0059	1.7775

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.287		N2	N3	H4	119.868
N2	N3	H5	117.012		H4	N3	H5	123.120

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: mPW1PW91/6-31+G**

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	-0.176
2	N	-0.055
3	N	-0.444
4	H	0.330
5	H	0.346

	x	y	z	Total
	3.850	0.806	-0.002	3.934
CHELPG
AIM
ESP

	x	y	z
x	4.872	-0.015	0.000
y	-0.015	3.017	0.000
z	0.000	0.000	2.152

<r²>	36.030
(<r²>)^1/2	6.002

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)