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	hartrees
Energy at 0K	-185.570562
Energy at 298.15K	-185.574378
HF Energy	-185.570562
Nuclear repulsion energy	71.288011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3782	3615	67.30
2	A	3535	3379	15.45
3	A	1655	1582	65.61
4	A	1518	1451	122.46
5	A	1235	1181	124.79
6	A	1129	1079	61.54
7	A	742	709	69.24
8	A	617	590	1.88
9	A	582	556	316.39

Atom	x (Å)	y (Å)	z (Å)
O1	-1.142	0.222	0.000
N2	-0.135	-0.513	-0.000
N3	1.026	0.150	-0.000
H4	1.034	1.166	-0.000
H5	1.866	-0.399	0.001

	O1	N2	N3	H4	H5
O1		1.2466	2.1687	2.3723	3.0718
N2	1.2466		1.3368	2.0458	2.0045
N3	2.1687	1.3368		1.0151	1.0046
H4	2.3723	2.0458	1.0151		1.7723
H5	3.0718	2.0045	1.0046	1.7723

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.125		N2	N3	H4	120.261
N2	N3	H5	117.061		H4	N3	H5	122.677

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	-0.373
2	N	0.187
3	N	-0.542
4	H	0.352
5	H	0.376

	x	y	z	Total
	4.011	0.891	0.002	4.109
CHELPG
AIM
ESP

	x	y	z
x	4.277	-0.057	0.000
y	-0.057	2.279	-0.000
z	0.000	-0.000	0.998

<r²>	36.767
(<r²>)^1/2	6.064

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)