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	hartrees
Energy at 0K	-185.643587
Energy at 298.15K	-185.646831
HF Energy	-185.643587
Nuclear repulsion energy	72.427186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3749	3573	61.43
2	A	3518	3353	11.44
3	A	1674	1595	128.07
4	A	1614	1539	127.03
5	A	1261	1202	115.85
6	A	1146	1092	48.76
7	A	742	708	5.13
8	A	633	603	1.78
9	A	77	74	262.72

Atom	x (Å)	y (Å)	z (Å)
O1	-1.116	0.220	0.002
N2	-0.143	-0.506	0.001
N3	1.010	0.146	-0.012
H4	1.008	1.163	0.024
H5	1.853	-0.403	0.039

	O1	N2	N3	H4	H5
O1		1.2140	2.1272	2.3244	3.0339
N2	1.2140		1.3246	2.0277	1.9990
N3	2.1272	1.3246		1.0174	1.0076
H4	2.3244	2.0277	1.0174		1.7794
H5	3.0339	1.9990	1.0076	1.7794

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.778		N2	N3	H4	119.369
N2	N3	H5	117.345		H4	N3	H5	122.975

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: PBE1PBE/6-31G**

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	-0.361
2	N	0.172
3	N	-0.535
4	H	0.351
5	H	0.375

	x	y	z	Total
	3.617	0.754	0.141	3.697
CHELPG
AIM
ESP

	x	y	z
x	4.214	-0.004	0.002
y	-0.004	2.431	0.002
z	0.002	0.002	1.265

<r²>	35.643
(<r²>)^1/2	5.970

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: PBE1PBE/6-31G**

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)