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	hartrees
Energy at 0K	-185.739922
Energy at 298.15K	-185.743361
HF Energy	-185.739922
Nuclear repulsion energy	71.759982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3592	3552	44.67
2	A	3336	3299	1.23
3	A	1530	1513	6.86
4	A	1506	1489	230.30
5	A	1172	1159	97.18
6	A	1036	1024	88.74
7	A	706	698	1.92
8	A	598	591	0.45
9	A	232	229	177.31

Atom	x (Å)	y (Å)	z (Å)
O1	-1.130	0.221	-0.000
N2	-0.144	-0.506	-0.000
N3	1.021	0.147	0.001
H4	1.035	1.172	-0.002
H5	1.863	-0.418	-0.003

	O1	N2	N3	H4	H5
O1		1.2244	2.1523	2.3647	3.0603
N2	1.2244		1.3363	2.0515	2.0096
N3	2.1523	1.3363		1.0254	1.0139
H4	2.3647	2.0515	1.0254		1.7930
H5	3.0603	2.0096	1.0139	1.7930

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.316		N2	N3	H4	120.030
N2	N3	H5	116.873		H4	N3	H5	123.095

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: PBEPBEultrafine/aug-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	-0.386
2	N	0.019
3	N	0.112
4	H	0.115
5	H	0.140

	x	y	z	Total
	3.581	0.750	-0.009	3.659
CHELPG
AIM
ESP

	x	y	z
x	5.787	0.090	0.000
y	0.090	4.003	-0.000
z	0.000	-0.000	2.764

<r²>	36.697
(<r²>)^1/2	6.058

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)