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	hartrees
Energy at 0K	-185.905646
Energy at 298.15K	-185.909002
HF Energy	-185.905646
Nuclear repulsion energy	71.361056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3568	3556	41.24
2	A	3318	3307	1.30
3	A	1532	1527	27.71
4	A	1468	1463	186.81
5	A	1158	1154	93.54
6	A	989	986	119.73
7	A	694	692	1.89
8	A	596	594	0.15
9	A	187	187	179.53

Atom	x (Å)	y (Å)	z (Å)
O1	-1.136	0.223	-0.000
N2	-0.148	-0.509	-0.000
N3	1.029	0.147	0.000
H4	1.047	1.172	-0.000
H5	1.869	-0.421	-0.001

	O1	N2	N3	H4	H5
O1		1.2300	2.1666	2.3805	3.0732
N2	1.2300		1.3478	2.0625	2.0188
N3	2.1666	1.3478		1.0248	1.0136
H4	2.3805	2.0625	1.0248		1.7917
H5	3.0732	2.0188	1.0136	1.7917

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.314		N2	N3	H4	120.151
N2	N3	H5	116.802		H4	N3	H5	123.046

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: BLYP/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	-0.387
2	N	0.035
3	N	0.110
4	H	0.113
5	H	0.130

	x	y	z	Total
	3.570	0.727	-0.002	3.644
CHELPG
AIM
ESP

	x	y	z
x	5.898	0.090	0.000
y	0.090	4.028	-0.000
z	0.000	-0.000	2.801

<r²>	37.103
(<r²>)^1/2	6.091

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)