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	hartrees
Energy at 0K	-184.775748
Energy at 298.15K	-184.779634
HF Energy	-184.775748
Nuclear repulsion energy	72.158693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4011	3609	92.89
2	A	3804	3423	64.12
3	A	1801	1621	69.81
4	A	1673	1505	201.23
5	A	1345	1211	267.24
6	A	1257	1131	77.64
7	A	738	664	110.50
8	A	669	602	5.82
9	A	619	557	391.86

Atom	x (Å)	y (Å)	z (Å)
O1	-1.133	0.216	0.000
N2	-0.137	-0.499	0.000
N3	1.019	0.146	-0.000
H4	1.040	1.144	0.001
H5	1.844	-0.404	0.001

	O1	N2	N3	H4	H5
O1		1.2264	2.1532	2.3626	3.0407
N2	1.2264		1.3234	2.0205	1.9827
N3	2.1532	1.3234		0.9981	0.9912
H4	2.3626	2.0205	0.9981		1.7440
H5	3.0407	1.9827	0.9912	1.7440

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	115.179		N2	N3	H4	120.355
N2	N3	H5	117.153		H4	N3	H5	122.492

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: HF/LANL2DZ

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	-0.371
2	N	0.256
3	N	-0.651
4	H	0.377
5	H	0.389

	x	y	z	Total
	4.267	0.662	0.005	4.318
CHELPG
AIM
ESP

	x	y	z
x	4.111	-0.275	0.000
y	-0.275	2.132	0.000
z	0.000	0.000	0.992

<r²>	36.518
(<r²>)^1/2	6.043

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)