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	hartrees
Energy at 0K	-185.837813
Energy at 298.15K	-185.841302
HF Energy	-185.837813
Nuclear repulsion energy	72.776905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3747	3545	91.37
2	A	3508	3319	29.99
3	A	1668	1578	147.97
4	A	1599	1513	162.21
5	A	1248	1181	141.75
6	A	1136	1075	108.24
7	A	709	671	3.07
8	A	659	624	1.40
9	A	226	214	253.22

Atom	x (Å)	y (Å)	z (Å)
O1	-1.111	0.218	-0.000
N2	-0.146	-0.500	-0.000
N3	1.008	0.144	0.000
H4	1.013	1.159	-0.001
H5	1.844	-0.413	-0.001

	O1	N2	N3	H4	H5
O1		1.2029	2.1200	2.3226	3.0218
N2	1.2029		1.3219	2.0239	1.9924
N3	2.1200	1.3219		1.0146	1.0050
H4	2.3226	2.0239	1.0146		1.7780
H5	3.0218	1.9924	1.0050	1.7780

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.127		N2	N3	H4	119.467
N2	N3	H5	117.149		H4	N3	H5	123.385

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: M06-2X/TZVP

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	-0.280
2	N	0.129
3	N	-0.373
4	H	0.253
5	H	0.271

	x	y	z	Total
	3.716	0.721	-0.003	3.785
CHELPG
AIM
ESP

	x	y	z
x	4.612	-0.063	0.000
y	-0.063	2.764	-0.000
z	0.000	-0.000	1.836

<r²>	35.795
(<r²>)^1/2	5.983

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: M06-2X/TZVP

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)