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	hartrees
Energy at 0K	-185.898733
Energy at 298.15K	-185.902201
HF Energy	-185.898733
Nuclear repulsion energy	71.213515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3568	3559	40.50
2	A	3313	3304	0.99
3	A	1542	1538	31.33
4	A	1475	1471	177.25
5	A	1162	1159	89.93
6	A	979	977	119.40
7	A	699	697	2.54
8	A	597	595	0.00
9	A	267	267	210.29

Atom	x (Å)	y (Å)	z (Å)
O1	-1.137	0.225	-0.000
N2	-0.150	-0.511	0.000
N3	1.032	0.147	0.000
H4	1.054	1.174	-0.000
H5	1.872	-0.422	-0.001

	O1	N2	N3	H4	H5
O1		1.2309	2.1702	2.3873	3.0783
N2	1.2309		1.3529	2.0706	2.0247
N3	2.1702	1.3529		1.0268	1.0153
H4	2.3873	2.0706	1.0268		1.7937
H5	3.0783	2.0247	1.0153	1.7937

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.183		N2	N3	H4	120.319
N2	N3	H5	116.792		H4	N3	H5	122.888

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: BLYP/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	-0.221
2	N	0.040
3	N	-0.253
4	H	0.203
5	H	0.233

	x	y	z	Total
	3.617	0.739	-0.002	3.691
CHELPG
AIM
ESP

	x	y	z
x	5.230	0.081	-0.000
y	0.081	3.212	0.000
z	-0.000	0.000	1.880

<r²>	37.088
(<r²>)^1/2	6.090

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)