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	hartrees
Energy at 0K	-185.795799
Energy at 298.15K	-185.799326
HF Energy	-185.795799
Nuclear repulsion energy	72.538688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3762	3598	76.44
2	A	3524	3371	20.25
3	A	1653	1582	152.77
4	A	1601	1532	162.09
5	A	1250	1196	144.82
6	A	1150	1100	57.31
7	A	724	692	3.77
8	A	632	605	1.58
9	A	263	252	245.65

Atom	x (Å)	y (Å)	z (Å)
O1	-1.117	0.218	0.000
N2	-0.141	-0.502	0.000
N3	1.009	0.146	-0.000
H4	1.015	1.161	0.001
H5	1.847	-0.409	0.001

	O1	N2	N3	H4	H5
O1		1.2134	2.1273	2.3312	3.0299
N2	1.2134		1.3196	2.0249	1.9898
N3	2.1273	1.3196		1.0149	1.0052
H4	2.3312	2.0249	1.0149		1.7769
H5	3.0299	1.9898	1.0052	1.7769

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.184		N2	N3	H4	119.742
N2	N3	H5	117.074		H4	N3	H5	123.184

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: B1B95/6-31+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	-0.194
2	N	-0.037
3	N	-0.432
4	H	0.323
5	H	0.339

	x	y	z	Total
	3.837	0.792	0.004	3.918
CHELPG
AIM
ESP

	x	y	z
x	4.863	-0.021	-0.000
y	-0.021	3.022	0.000
z	-0.000	0.000	2.149

<r²>	35.956
(<r²>)^1/2	5.996

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)