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	hartrees
Energy at 0K	-185.797510
Energy at 298.15K	-185.800667
HF Energy	-185.797510
Nuclear repulsion energy	72.616385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3732	3587	68.35
2	A	3480	3345	8.60
3	A	1670	1605	152.28
4	A	1552	1492	117.42
5	A	1234	1186	118.32
6	A	1133	1089	38.57
7	A	738	709	4.20
8	A	622	598	1.43
9	A	35	34	198.86

Atom	x (Å)	y (Å)	z (Å)
O1	-1.113	0.219	0.001
N2	-0.145	-0.503	0.000
N3	1.008	0.145	-0.005
H4	1.004	1.165	0.010
H5	1.852	-0.408	0.017

	O1	N2	N3	H4	H5
O1		1.2074	2.1222	2.3184	3.0303
N2	1.2074		1.3226	2.0250	1.9990
N3	2.1222	1.3226		1.0198	1.0093
H4	2.3184	2.0250	1.0198		1.7872
H5	3.0303	1.9990	1.0093	1.7872

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.957		N2	N3	H4	119.083
N2	N3	H5	117.382		H4	N3	H5	123.479

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: B1B95/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	-0.265
2	N	0.048
3	N	-0.009
4	H	0.098
5	H	0.127

	x	y	z	Total
	3.505	0.644	0.052	3.564
CHELPG
AIM
ESP

	x	y	z
x	4.245	0.009	0.002
y	0.009	2.486	0.001
z	0.002	0.001	1.237

<r²>	35.504
(<r²>)^1/2	5.959

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)