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	hartrees
Energy at 0K	-184.898394
Energy at 298.15K	-184.901837
HF Energy	-184.898394
Nuclear repulsion energy	73.872963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3955	3593	87.42
2	A	3755	3411	43.78
3	A	1839	1671	201.51
4	A	1759	1598	162.07
5	A	1362	1237	159.84
6	A	1231	1118	164.29
7	A	737	670	5.29
8	A	704	640	2.96
9	A	159	145	308.58

Atom	x (Å)	y (Å)	z (Å)
O1	-1.097	0.214	0.003
N2	-0.150	-0.485	0.003
N3	1.000	0.139	-0.027
H4	1.015	1.133	0.058
H5	1.810	-0.419	0.085

	O1	N2	N3	H4	H5
O1		1.1768	2.0982	2.3041	2.9765
N2	1.1768		1.3089	1.9952	1.9634
N3	2.0982	1.3089		0.9979	0.9906
H4	2.3041	1.9952	0.9979		1.7445
H5	2.9765	1.9634	0.9906	1.7445

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	115.049		N2	N3	H4	119.128
N2	N3	H5	116.589		H4	N3	H5	122.635

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: HF/TZVP

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	-0.309
2	N	0.181
3	N	-0.356
4	H	0.236
5	H	0.248

	x	y	z	Total
	3.673	0.587	0.335	3.735
CHELPG
AIM
ESP

	x	y	z
x	4.143	-0.189	-0.006
y	-0.189	2.471	0.009
z	-0.006	0.009	1.757

<r²>	35.121
(<r²>)^1/2	5.926

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)