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	hartrees
Energy at 0K	-183.306640
Energy at 298.15K	-183.310124
HF Energy	-183.306640
Nuclear repulsion energy	67.934149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3781	3339	1.54
2	A	3529	3116	5.65
3	A	1717	1516	20.40
4	A	1668	1473	25.48
5	A	1263	1116	31.21
6	A	1041	919	11.92
7	A	647	572	193.80
8	A	577	510	66.47
9	A	436	385	35.56

Atom	x (Å)	y (Å)	z (Å)
O1	-1.155	0.262	0.011
N2	-0.189	-0.564	0.010
N3	1.101	0.157	-0.119
H4	1.033	1.137	0.269
H5	1.827	-0.388	0.412

	O1	N2	N3	H4	H5
O1		1.2709	2.2627	2.3708	3.0787
N2	1.2709		1.4838	2.1107	2.0638
N3	2.2627	1.4838		1.0566	1.0520
H4	2.3708	2.1107	1.0566		1.7258
H5	3.0787	2.0638	1.0520	1.7258

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	110.208		N2	N3	H4	111.260
N2	N3	H5	107.734		H4	N3	H5	109.862

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: B1B95/STO-3G

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	-0.103
2	N	0.027
3	N	-0.309
4	H	0.188
5	H	0.197

	x	y	z	Total
	1.681	0.855	1.357	2.324
CHELPG
AIM
ESP

	x	y	z
x	2.890	-0.128	0.121
y	-0.128	1.314	0.012
z	0.121	0.012	0.577

<r²>	38.017
(<r²>)^1/2	6.166

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)