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	hartrees
Energy at 0K	-185.827816
Energy at 298.15K	-185.831215
HF Energy	-185.827816
Nuclear repulsion energy	71.946340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3623	3567	41.29
2	A	3362	3310	1.19
3	A	1553	1529	10.93
4	A	1519	1495	220.76
5	A	1181	1163	92.77
6	A	1021	1005	110.96
7	A	709	698	1.86
8	A	605	596	0.21
9	A	201	198	180.29

Atom	x (Å)	y (Å)	z (Å)
O1	-1.127	0.221	-0.000
N2	-0.147	-0.504	-0.000
N3	1.021	0.145	0.000
H4	1.043	1.165	-0.000
H5	1.856	-0.421	-0.000

	O1	N2	N3	H4	H5
O1		1.2188	2.1492	2.3666	3.0511
N2	1.2188		1.3358	2.0493	2.0044
N3	2.1492	1.3358		1.0199	1.0087
H4	2.3666	2.0493	1.0199		1.7817
H5	3.0511	2.0044	1.0087	1.7817

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.480		N2	N3	H4	120.305
N2	N3	H5	116.821		H4	N3	H5	122.874

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: B97D3/aug-cc-pVTZ

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	-0.412
2	N	0.053
3	N	0.140
4	H	0.095
5	H	0.123

	x	y	z	Total
	3.568	0.737	-0.001	3.643
CHELPG
AIM
ESP

	x	y	z
x	5.686	0.084	0.000
y	0.084	3.905	-0.000
z	0.000	-0.000	2.726

<r²>	36.491
(<r²>)^1/2	6.041

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)