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	hartrees
Energy at 0K	-185.899304
Energy at 298.15K	-185.902513
HF Energy	-185.899304
Nuclear repulsion energy	72.074276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3691	3556	36.86
2	A	3447	3320	1.75
3	A	1625	1565	23.21
4	A	1584	1526	205.85
5	A	1229	1184	104.35
6	A	1083	1044	87.60
7	A	734	707	3.58
8	A	617	594	0.53
9	A	70	68	247.51

Atom	x (Å)	y (Å)	z (Å)
O1	-1.122	0.222	0.000
N2	-0.148	-0.507	0.000
N3	1.017	0.145	-0.001
H4	1.028	1.163	0.002
H5	1.859	-0.409	0.003

	O1	N2	N3	H4	H5
O1		1.2171	2.1407	2.3471	3.0468
N2	1.2171		1.3352	2.0427	2.0086
N3	2.1407	1.3352		1.0180	1.0075
H4	2.3471	2.0427	1.0180		1.7781
H5	3.0468	2.0086	1.0075	1.7781

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.935		N2	N3	H4	119.863
N2	N3	H5	117.366		H4	N3	H5	122.769

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: TPSSh/6-311G*

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	-0.295
2	N	0.148
3	N	-0.539
4	H	0.328
5	H	0.358

	x	y	z	Total
	3.599	0.703	0.010	3.667
CHELPG
AIM
ESP

	x	y	z
x	4.551	0.043	0.000
y	0.043	2.695	0.000
z	0.000	0.000	1.381

<r²>	36.092
(<r²>)^1/2	6.008

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: TPSSh/6-311G*

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)