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	hartrees
Energy at 0K	-184.992070
Energy at 298.15K	-184.995648
HF Energy	-184.992070
Nuclear repulsion energy	72.648795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3591	3552	62.60
2	A	3312	3275	0.53
3	A	1589	1572	151.29
4	A	1491	1475	109.17
5	A	1197	1184	96.75
6	A	1100	1088	26.90
7	A	737	729	3.99
8	A	607	600	0.92
9	A	317	314	173.37

Atom	x (Å)	y (Å)	z (Å)
O1	-1.114	0.215	0.000
N2	-0.138	-0.502	-0.000
N3	1.005	0.146	0.000
H4	0.985	1.176	-0.000
H5	1.856	-0.407	0.000

	O1	N2	N3	H4	H5
O1		1.2112	2.1196	2.3087	3.0344
N2	1.2112		1.3133	2.0186	1.9958
N3	2.1196	1.3133		1.0292	1.0157
H4	2.3087	2.0186	1.0292		1.8065
H5	3.0344	1.9958	1.0157	1.8065

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.133		N2	N3	H4	118.514
N2	N3	H5	117.372		H4	N3	H5	124.113

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: LSDA/cc-pVTZ

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	-0.249
2	N	0.045
3	N	-0.085
4	H	0.124
5	H	0.164

	x	y	z	Total
	3.635	0.740	-0.000	3.709
CHELPG
AIM
ESP

	x	y	z
x	4.922	0.116	0.000
y	0.116	3.222	0.000
z	0.000	0.000	1.806

<r²>	35.750
(<r²>)^1/2	5.979

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)