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	hartrees
Energy at 0K	-185.736763
Energy at 298.15K	-185.740214
HF Energy	-185.736763
Nuclear repulsion energy	72.806089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3738	3592	63.73
2	A	3496	3360	8.76
3	A	1643	1579	128.88
4	A	1587	1525	140.72
5	A	1240	1192	123.18
6	A	1132	1088	63.95
7	A	734	705	3.05
8	A	636	611	1.02
9	A	201	194	192.86

Atom	x (Å)	y (Å)	z (Å)
O1	-1.113	0.217	-0.000
N2	-0.143	-0.499	-0.000
N3	1.007	0.144	0.001
H4	1.011	1.158	-0.002
H5	1.843	-0.411	-0.003

	O1	N2	N3	H4	H5
O1		1.2052	2.1211	2.3227	3.0214
N2	1.2052		1.3176	2.0188	1.9876
N3	2.1211	1.3176		1.0135	1.0032
H4	2.3227	2.0188	1.0135		1.7756
H5	3.0214	1.9876	1.0032	1.7756

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.366		N2	N3	H4	119.423
N2	N3	H5	117.192		H4	N3	H5	123.383

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: HSEh1PBE/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	-0.282
2	N	0.083
3	N	-0.099
4	H	0.135
5	H	0.163

	x	y	z	Total
	3.604	0.705	-0.008	3.672
CHELPG
AIM
ESP

	x	y	z
x	4.653	0.035	-0.000
y	0.035	2.911	-0.000
z	-0.000	-0.000	1.781

<r²>	35.604
(<r²>)^1/2	5.967

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)