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	hartrees
Energy at 0K	-185.879467
Energy at 298.15K	-185.882773
HF Energy	-185.879467
Nuclear repulsion energy	71.177029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3572	3558	34.17
2	A	3311	3298	0.66
3	A	1531	1525	18.87
4	A	1493	1487	179.16
5	A	1160	1155	80.72
6	A	981	977	91.55
7	A	705	702	2.80
8	A	592	590	0.04
9	A	156	155	195.87

Atom	x (Å)	y (Å)	z (Å)
O1	-1.135	0.226	-0.000
N2	-0.153	-0.513	0.000
N3	1.033	0.147	0.000
H4	1.045	1.175	0.000
H5	1.877	-0.418	-0.000

	O1	N2	N3	H4	H5
O1		1.2299	2.1696	2.3774	3.0807
N2	1.2299		1.3568	2.0693	2.0321
N3	2.1696	1.3568		1.0277	1.0159
H4	2.3774	2.0693	1.0277		1.7969
H5	3.0807	2.0321	1.0159	1.7969

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.926		N2	N3	H4	119.780
N2	N3	H5	117.115		H4	N3	H5	123.105

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: BLYP/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	-0.256
2	N	0.090
3	N	-0.252
4	H	0.193
5	H	0.226

	x	y	z	Total
	3.415	0.650	-0.000	3.476
CHELPG
AIM
ESP

	x	y	z
x	4.871	0.101	0.000
y	0.101	2.931	0.000
z	0.000	0.000	1.446

<r²>	36.882
(<r²>)^1/2	6.073

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)