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	hartrees
Energy at 0K	-185.671404
Energy at 298.15K	-185.674539
HF Energy	-185.671404
Nuclear repulsion energy	71.601921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3617	3580	39.36
2	A	3355	3320	0.76
3	A	1556	1540	96.14
4	A	1519	1503	96.17
5	A	1179	1167	80.79
6	A	1031	1021	63.33
7	A	719	712	2.27
8	A	589	583	0.52
9	A	51	51	175.22

Atom	x (Å)	y (Å)	z (Å)
O1	-1.127	0.225	0.001
N2	-0.149	-0.514	0.001
N3	1.023	0.147	-0.008
H4	1.023	1.173	0.017
H5	1.871	-0.408	0.028

	O1	N2	N3	H4	H5
O1		1.2257	2.1513	2.3500	3.0643
N2	1.2257		1.3452	2.0538	2.0226
N3	2.1513	1.3452		1.0258	1.0147
H4	2.3500	2.0538	1.0258		1.7944
H5	3.0643	2.0226	1.0147	1.7944

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.519		N2	N3	H4	119.430
N2	N3	H5	117.292		H4	N3	H5	123.130

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.284
2	N	0.079
3	N	-0.311
4	H	0.242
5	H	0.274

	x	y	z	Total
	3.375	0.761	0.079	3.461
CHELPG
AIM
ESP

	x	y	z
x	4.634	0.091	0.005
y	0.091	2.845	0.002
z	0.005	0.002	1.641

<r²>	36.202
(<r²>)^1/2	6.017

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)