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	hartrees
Energy at 0K	-184.770098
Energy at 298.15K	-184.773476
HF Energy	-184.770098
Nuclear repulsion energy	68.589230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3499	3480	21.50
2	A	3252	3234	0.60
3	A	1517	1509	41.92
4	A	1279	1272	30.04
5	A	1067	1061	74.09
6	A	855	850	76.38
7	A	687	683	14.80
8	A	516	513	0.06
9	A	287	286	279.25

Atom	x (Å)	y (Å)	z (Å)
O1	-1.169	0.245	-0.000
N2	-0.155	-0.556	0.000
N3	1.067	0.160	0.000
H4	1.037	1.192	-0.000
H5	1.934	-0.383	-0.001

	O1	N2	N3	H4	H5
O1		1.2928	2.2378	2.4004	3.1661
N2	1.2928		1.4166	2.1159	2.0962
N3	2.2378	1.4166		1.0323	1.0230
H4	2.4004	2.1159	1.0323		1.8125
H5	3.1661	2.0962	1.0230	1.8125

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	111.285		N2	N3	H4	118.705
N2	N3	H5	117.558		H4	N3	H5	123.736

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: BLYP/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	-0.295
2	N	0.138
3	N	-0.449
4	H	0.293
5	H	0.314

	x	y	z	Total
	3.329	0.802	-0.004	3.424
CHELPG
AIM
ESP

	x	y	z
x	4.305	-0.041	-0.000
y	-0.041	2.225	0.000
z	-0.000	0.000	0.766

<r²>	38.311
(<r²>)^1/2	6.190

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)