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	hartrees
Energy at 0K	-185.889520
Energy at 298.15K	-185.892994
HF Energy	-185.889520
Nuclear repulsion energy	71.924666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3666	3546	47.58
2	A	3422	3310	5.91
3	A	1590	1538	10.22
4	A	1561	1510	244.63
5	A	1215	1175	126.38
6	A	1097	1062	76.70
7	A	717	694	2.47
8	A	607	587	0.94
9	A	239	231	195.47

Atom	x (Å)	y (Å)	z (Å)
O1	-1.126	0.221	-0.000
N2	-0.143	-0.508	-0.000
N3	1.017	0.147	0.000
H4	1.026	1.169	-0.001
H5	1.860	-0.412	-0.001

	O1	N2	N3	H4	H5
O1		1.2240	2.1445	2.3515	3.0524
N2	1.2240		1.3321	2.0439	2.0048
N3	2.1445	1.3321		1.0217	1.0118
H4	2.3515	2.0439	1.0217		1.7881
H5	3.0524	2.0048	1.0118	1.7881

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.000		N2	N3	H4	119.946
N2	N3	H5	116.937		H4	N3	H5	123.117

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: TPSSh/aug-cc-pVDZ

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	-0.557
2	N	0.251
3	N	0.216
4	H	0.026
5	H	0.063

	x	y	z	Total
	3.673	0.759	-0.005	3.751
CHELPG
AIM
ESP

	x	y	z
x	5.458	0.027	-0.000
y	0.027	3.621	0.000
z	-0.000	0.000	2.581

<r²>	36.426
(<r²>)^1/2	6.035

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)