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	hartrees
Energy at 0K	-185.790151
Energy at 298.15K	-185.793406
HF Energy	-185.790151
Nuclear repulsion energy	72.449830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3740	3596	59.58
2	A	3498	3363	9.68
3	A	1640	1577	114.64
4	A	1582	1521	117.69
5	A	1235	1187	106.17
6	A	1116	1073	58.56
7	A	732	704	2.85
8	A	625	600	1.23
9	A	90	87	197.56

Atom	x (Å)	y (Å)	z (Å)
O1	-1.116	0.220	0.000
N2	-0.145	-0.505	0.000
N3	1.012	0.146	-0.000
H4	1.013	1.161	0.000
H5	1.851	-0.408	0.000

	O1	N2	N3	H4	H5
O1		1.2113	2.1287	2.3271	3.0325
N2	1.2113		1.3271	2.0285	1.9987
N3	2.1287	1.3271		1.0151	1.0053
H4	2.3271	2.0285	1.0151		1.7782
H5	3.0325	1.9987	1.0053	1.7782

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.903		N2	N3	H4	119.408
N2	N3	H5	117.278		H4	N3	H5	123.314

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.326
2	N	0.121
3	N	-0.362
4	H	0.270
5	H	0.297

	x	y	z	Total
	3.507	0.763	0.001	3.589
CHELPG
AIM
ESP

	x	y	z
x	4.382	0.046	0.000
y	0.046	2.675	0.000
z	0.000	0.000	1.629

<r²>	35.568
(<r²>)^1/2	5.964

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)