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	hartrees
Energy at 0K	-184.907545
Energy at 298.15K	-184.911022
HF Energy	-184.907545
Nuclear repulsion energy	72.184432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3599	3531	51.97
2	A	3329	3266	0.54
3	A	1616	1585	131.83
4	A	1522	1493	103.03
5	A	1215	1192	83.27
6	A	1105	1084	24.28
7	A	747	733	6.03
8	A	600	588	1.89
9	A	248	243	232.64

Atom	x (Å)	y (Å)	z (Å)
O1	-1.118	0.219	-0.000
N2	-0.139	-0.511	-0.000
N3	1.009	0.148	0.001
H4	0.985	1.180	-0.002
H5	1.869	-0.398	-0.002

	O1	N2	N3	H4	H5
O1		1.2214	2.1276	2.3125	3.0502
N2	1.2214		1.3233	2.0309	2.0112
N3	2.1276	1.3233		1.0324	1.0195
H4	2.3125	2.0309	1.0324		1.8092
H5	3.0502	2.0112	1.0195	1.8092

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.400		N2	N3	H4	118.597
N2	N3	H5	117.701		H4	N3	H5	123.701

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: SVWN/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	-0.330
2	N	0.129
3	N	-0.499
4	H	0.333
5	H	0.367

	x	y	z	Total
	3.623	0.808	-0.008	3.712
CHELPG
AIM
ESP

	x	y	z
x	4.405	0.058	-0.000
y	0.058	2.647	-0.000
z	-0.000	-0.000	1.269

<r²>	35.759
(<r²>)^1/2	5.980

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: SVWN/6-31G*

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)