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	hartrees
Energy at 0K	-185.781170
Energy at 298.15K	-185.784910
HF Energy	-185.781170
Nuclear repulsion energy	70.553994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3718	3577	49.40
2	A	3466	3335	7.08
3	A	1635	1573	55.96
4	A	1445	1391	87.07
5	A	1190	1145	113.13
6	A	1054	1014	83.63
7	A	724	696	45.25
8	A	587	565	0.94
9	A	531	511	323.50

Atom	x (Å)	y (Å)	z (Å)
O1	-1.152	0.227	0.000
N2	-0.138	-0.522	0.000
N3	1.036	0.153	-0.000
H4	1.047	1.171	0.000
H5	1.880	-0.399	0.001

	O1	N2	N3	H4	H5
O1		1.2606	2.1897	2.3930	3.0962
N2	1.2606		1.3545	2.0667	2.0220
N3	2.1897	1.3545		1.0187	1.0081
H4	2.3930	2.0667	1.0187		1.7778
H5	3.0962	2.0220	1.0081	1.7778

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.673		N2	N3	H4	120.454
N2	N3	H5	116.949		H4	N3	H5	122.598

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: TPSSh/6-31G

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	-0.360
2	N	0.172
3	N	-0.515
4	H	0.340
5	H	0.363

	x	y	z	Total
	3.939	0.892	0.003	4.039
CHELPG
AIM
ESP

	x	y	z
x	4.437	-0.042	0.000
y	-0.042	2.366	0.000
z	0.000	0.000	0.999

<r²>	37.264
(<r²>)^1/2	6.104

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: TPSSh/6-31G

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)