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	hartrees
Energy at 0K	-185.678354
Energy at 298.15K	-185.681901
HF Energy	-185.678354
Nuclear repulsion energy	72.470699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3755	3585	75.83
2	A	3514	3355	17.75
3	A	1651	1576	152.67
4	A	1602	1530	163.71
5	A	1252	1196	142.86
6	A	1151	1099	56.25
7	A	726	693	3.77
8	A	637	608	1.48
9	A	276	264	246.19

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	1.017	1.163	-0.000
H5	1.849	-0.411	-0.000

	O1	N2	N3	H4	H5
O1		1.2144	2.1299	2.3356	3.0334
N2	1.2144		1.3202	2.0274	1.9913
N3	2.1299	1.3202		1.0168	1.0068
H4	2.3356	2.0274	1.0168		1.7799
H5	3.0334	1.9913	1.0068	1.7799

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.289		N2	N3	H4	119.783
N2	N3	H5	117.041		H4	N3	H5	123.176

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: HSEh1PBE/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	-0.188
2	N	-0.049
3	N	-0.433
4	H	0.326
5	H	0.342

	x	y	z	Total
	3.844	0.803	-0.002	3.927
CHELPG
AIM
ESP

	x	y	z
x	4.906	-0.012	0.000
y	-0.012	3.062	0.000
z	0.000	0.000	2.173

<r²>	36.047
(<r²>)^1/2	6.004

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)