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	hartrees
Energy at 0K	-184.928226
Energy at 298.15K	-184.931849
HF Energy	-184.928226
Nuclear repulsion energy	72.221040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3606	3552	70.49
2	A	3332	3282	3.98
3	A	1596	1572	183.91
4	A	1513	1490	121.77
5	A	1210	1191	107.94
6	A	1114	1097	24.18
7	A	725	714	5.40
8	A	605	596	1.48
9	A	368	362	223.23

Atom	x (Å)	y (Å)	z (Å)
O1	-1.122	0.217	-0.000
N2	-0.136	-0.505	-0.000
N3	1.009	0.148	0.000
H4	1.000	1.180	-0.000
H5	1.863	-0.409	-0.000

	O1	N2	N3	H4	H5
O1		1.2215	2.1317	2.3297	3.0493
N2	1.2215		1.3185	2.0325	2.0014
N3	2.1317	1.3185		1.0323	1.0195
H4	2.3297	2.0325	1.0323		1.8087
H5	3.0493	2.0014	1.0195	1.8087

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.071		N2	N3	H4	119.173
N2	N3	H5	117.177		H4	N3	H5	123.650

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: LSDA/6-31+G**

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	-0.173
2	N	-0.118
3	N	-0.387
4	H	0.328
5	H	0.349

	x	y	z	Total
	3.894	0.871	-0.002	3.990
CHELPG
AIM
ESP

	x	y	z
x	5.236	0.060	0.000
y	0.060	3.426	-0.000
z	0.000	-0.000	2.294

<r²>	36.276
(<r²>)^1/2	6.023

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: LSDA/6-31+G**

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)