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	hartrees
Energy at 0K	-184.573189
Energy at 298.15K	-184.576693
HF Energy	-184.443059
Nuclear repulsion energy	69.336377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3675	3675	53.41
2	A	3449	3449	20.23
3	A	1599	1599	56.51
4	A	1304	1304	15.74
5	A	1113	1113	99.44
6	A	954	954	70.41
7	A	703	703	21.01
8	A	554	554	0.88
9	A	336	336	328.26

Atom	x (Å)	y (Å)	z (Å)
O1	-1.162	0.239	-0.000
N2	-0.142	-0.550	0.000
N3	1.052	0.162	0.000
H4	1.009	1.179	-0.000
H5	1.911	-0.370	-0.000

	O1	N2	N3	H4	H5
O1		1.2895	2.2152	2.3657	3.1321
N2	1.2895		1.3899	2.0772	2.0601
N3	2.2152	1.3899		1.0184	1.0099
H4	2.3657	2.0772	1.0184		1.7926
H5	3.1321	2.0601	1.0099	1.7926

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	111.473		N2	N3	H4	118.382
N2	N3	H5	117.408		H4	N3	H5	124.210

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: B2PLYP/3-21G

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	-0.317
2	N	0.160
3	N	-0.508
4	H	0.323
5	H	0.342

	x	y	z	Total
	3.480	0.862	-0.001	3.586
CHELPG
AIM
ESP

	x	y	z
x	4.139	-0.078	0.000
y	-0.078	2.038	0.000
z	0.000	0.000	0.754

<r²>	37.727
(<r²>)^1/2	6.142

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: B2PLYP/3-21G

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)