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	hartrees
Energy at 0K	-185.800108
Energy at 298.15K	-185.803649
HF Energy	-185.800108
Nuclear repulsion energy	72.371017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3770	3591	77.41
2	A	3541	3373	24.90
3	A	1654	1575	143.02
4	A	1604	1528	173.94
5	A	1250	1191	144.87
6	A	1145	1091	72.61
7	A	717	683	2.82
8	A	643	612	1.46
9	A	268	255	257.94

Atom	x (Å)	y (Å)	z (Å)
O1	-1.092	0.233	-0.016
N2	-0.165	-0.524	0.035
N3	1.021	0.165	-0.053
H4	0.967	1.118	0.215
H5	1.777	-0.466	0.041

	O1	N2	N3	H4	H5
O1		1.1986	2.1141	2.2530	2.9533
N2	1.1986		1.3740	2.0027	1.9424
N3	2.1141	1.3740		0.9919	0.9891
H4	2.2530	2.0027	0.9919		1.7874
H5	2.9533	1.9424	0.9891	1.7874

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	110.338		N2	N3	H4	114.707
N2	N3	H5	109.487		H4	N3	H5	128.911

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: wB97X-D/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	-0.198
2	N	-0.014
3	N	-0.467
4	H	0.332
5	H	0.347

	x	y	z	Total
	3.873	0.802	-0.002	3.956
CHELPG
AIM
ESP

	x	y	z
x	4.840	-0.046	0.000
y	-0.046	2.985	0.000
z	0.000	0.000	2.163

<r²>	36.069
(<r²>)^1/2	6.006

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)