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	hartrees
Energy at 0K	-185.673921
Energy at 298.15K	-185.677112
HF Energy	-185.673921
Nuclear repulsion energy	71.474788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3575	3554	38.40
2	A	3290	3271	0.91
3	A	1555	1546	126.99
4	A	1476	1468	87.40
5	A	1163	1156	79.44
6	A	1030	1024	53.38
7	A	722	718	2.90
8	A	583	580	0.31
9	A	82	82	169.17

Atom	x (Å)	y (Å)	z (Å)
O1	-1.129	0.224	0.000
N2	-0.149	-0.512	0.000
N3	1.024	0.147	-0.000
H4	1.026	1.182	0.001
H5	1.878	-0.415	0.002

	O1	N2	N3	H4	H5
O1		1.2264	2.1552	2.3585	3.0744
N2	1.2264		1.3457	2.0614	2.0289
N3	2.1552	1.3457		1.0345	1.0219
H4	2.3585	2.0614	1.0345		1.8096
H5	3.0744	2.0289	1.0219	1.8096

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.758		N2	N3	H4	119.429
N2	N3	H5	117.297		H4	N3	H5	123.274

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: PBEPBEultrafine/cc-pVDZ

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	-0.232
2	N	0.021
3	N	0.017
4	H	0.080
5	H	0.115

	x	y	z	Total
	3.344	0.636	0.005	3.404
CHELPG
AIM
ESP

	x	y	z
x	4.635	0.087	0.001
y	0.087	2.757	0.000
z	0.001	0.000	1.253

<r²>	36.390
(<r²>)^1/2	6.032

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)