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	hartrees
Energy at 0K	-185.828391
Energy at 298.15K	-185.831797
HF Energy	-185.828391
Nuclear repulsion energy	72.773184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3758	3603	52.20
2	A	3521	3375	6.74
3	A	1664	1595	93.06
4	A	1626	1559	176.35
5	A	1258	1206	117.43
6	A	1144	1097	69.19
7	A	742	711	4.31
8	A	640	614	1.22
9	A	169	162	254.02

Atom	x (Å)	y (Å)	z (Å)
O1	-1.112	0.218	-0.000
N2	-0.145	-0.501	-0.000
N3	1.007	0.144	0.000
H4	1.013	1.157	-0.000
H5	1.845	-0.407	-0.001

	O1	N2	N3	H4	H5
O1		1.2049	2.1206	2.3232	3.0226
N2	1.2049		1.3203	2.0219	1.9925
N3	2.1206	1.3203		1.0129	1.0027
H4	2.3232	2.0219	1.0129		1.7712
H5	3.0226	1.9925	1.0027	1.7712

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.157		N2	N3	H4	119.550
N2	N3	H5	117.476		H4	N3	H5	122.974

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: B1B95/6-311G*

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	-0.299
2	N	0.158
3	N	-0.567
4	H	0.339
5	H	0.368

	x	y	z	Total
	3.637	0.689	-0.003	3.701
CHELPG
AIM
ESP

	x	y	z
x	4.355	0.019	0.000
y	0.019	2.588	-0.000
z	0.000	-0.000	1.370

<r²>	35.574
(<r²>)^1/2	5.964

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)