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	hartrees
Energy at 0K	-185.794539
Energy at 298.15K	-185.797794
HF Energy	-185.794539
Nuclear repulsion energy	72.747396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3767	3608	63.99
2	A	3530	3380	13.59
3	A	1666	1595	127.32
4	A	1589	1522	117.54
5	A	1246	1193	115.67
6	A	1135	1087	50.48
7	A	735	704	3.16
8	A	627	600	1.58
9	A	87	83	198.37

Atom	x (Å)	y (Å)	z (Å)
O1	-1.111	0.219	0.000
N2	-0.144	-0.503	0.000
N3	1.007	0.145	-0.000
H4	1.003	1.157	0.000
H5	1.846	-0.404	0.001

	O1	N2	N3	H4	H5
O1		1.2066	2.1190	2.3126	3.0214
N2	1.2066		1.3213	2.0184	1.9924
N3	2.1190	1.3213		1.0121	1.0025
H4	2.3126	2.0184	1.0121		1.7742
H5	3.0214	1.9924	1.0025	1.7742

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.830		N2	N3	H4	119.167
N2	N3	H5	117.389		H4	N3	H5	123.444

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: B1B95/6-31G(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	-0.330
2	N	0.129
3	N	-0.354
4	H	0.265
5	H	0.291

	x	y	z	Total
	3.499	0.749	0.002	3.579
CHELPG
AIM
ESP

	x	y	z
x	4.319	0.031	0.000
y	0.031	2.638	0.000
z	0.000	0.000	1.617

<r²>	35.337
(<r²>)^1/2	5.944

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)