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	hartrees
Energy at 0K	-185.809191
Energy at 298.15K	-185.812697
HF Energy	-185.809191
Nuclear repulsion energy	72.618826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3750	3750	83.97
2	A	3502	3502	30.30
3	A	1671	1671	158.92
4	A	1590	1590	156.05
5	A	1251	1251	157.14
6	A	1155	1155	62.76
7	A	713	713	1.96
8	A	652	652	2.03
9	A	237	237	213.29

Atom	x (Å)	y (Å)	z (Å)
O1	-1.113	0.218	-0.000
N2	-0.143	-0.503	-0.000
N3	1.008	0.146	0.000
H4	1.006	1.163	-0.001
H5	1.848	-0.412	-0.001

	O1	N2	N3	H4	H5
O1		1.2086	2.1230	2.3210	3.0276
N2	1.2086		1.3218	2.0240	1.9932
N3	2.1230	1.3218		1.0171	1.0081
H4	2.3210	2.0240	1.0171		1.7858
H5	3.0276	1.9932	1.0081	1.7858

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.994		N2	N3	H4	119.287
N2	N3	H5	116.995		H4	N3	H5	123.718

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: M06-2X/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	-0.523
2	N	0.204
3	N	0.333
4	H	-0.026
5	H	0.012

	x	y	z	Total
	3.667	0.748	-0.004	3.743
CHELPG
AIM
ESP

	x	y	z
x	5.043	-0.038	0.000
y	-0.038	3.271	0.000
z	0.000	0.000	2.473

<r²>	35.918
(<r²>)^1/2	5.993

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)