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	hartrees
Energy at 0K	-184.608999
Energy at 298.15K	-184.612635
HF Energy	-184.608999
Nuclear repulsion energy	70.264883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3690	3554	59.42
2	A	3459	3332	15.86
3	A	1596	1538	61.04
4	A	1390	1339	51.43
5	A	1156	1114	92.48
6	A	1002	965	84.68
7	A	721	695	30.04
8	A	575	554	1.21
9	A	427	412	327.77

Atom	x (Å)	y (Å)	z (Å)
O1	-1.147	0.233	0.000
N2	-0.143	-0.537	0.000
N3	1.039	0.157	-0.000
H4	1.007	1.176	0.001
H5	1.893	-0.382	0.001

	O1	N2	N3	H4	H5
O1		1.2655	2.1868	2.3508	3.1015
N2	1.2655		1.3702	2.0627	2.0418
N3	2.1868	1.3702		1.0191	1.0100
H4	2.3508	2.0627	1.0191		1.7917
H5	3.1015	2.0418	1.0100	1.7917

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	112.072		N2	N3	H4	118.645
N2	N3	H5	117.343		H4	N3	H5	124.012

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: HSEh1PBE/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	-0.339
2	N	0.169
3	N	-0.526
4	H	0.338
5	H	0.358

	x	y	z	Total
	3.604	0.839	0.005	3.700
CHELPG
AIM
ESP

	x	y	z
x	3.957	-0.085	0.000
y	-0.085	2.025	0.000
z	0.000	0.000	0.754

<r²>	37.025
(<r²>)^1/2	6.085

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)