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	hartrees
Energy at 0K	-184.987387
Energy at 298.15K	-184.991076
HF Energy	-184.987387
Nuclear repulsion energy	72.533779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3589	3547	67.33
2	A	3312	3274	1.31
3	A	1585	1567	153.52
4	A	1517	1499	124.34
5	A	1202	1188	98.75
6	A	1104	1091	44.24
7	A	734	725	5.67
8	A	614	607	0.80
9	A	420	416	212.59

Atom	x (Å)	y (Å)	z (Å)
O1	-1.117	0.215	0.000
N2	-0.139	-0.500	-0.000
N3	1.007	0.146	0.000
H4	1.004	1.176	-0.000
H5	1.855	-0.415	0.000

	O1	N2	N3	H4	H5
O1		1.2122	2.1249	2.3287	3.0382
N2	1.2122		1.3151	2.0291	1.9957
N3	2.1249	1.3151		1.0306	1.0168
H4	2.3287	2.0291	1.0306		1.8043
H5	3.0382	1.9957	1.0168	1.8043

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.390		N2	N3	H4	119.280
N2	N3	H5	117.125		H4	N3	H5	123.595

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: LSDA/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	-0.232
2	N	0.036
3	N	-0.300
4	H	0.230
5	H	0.266

	x	y	z	Total
	3.790	0.819	-0.000	3.878
CHELPG
AIM
ESP

	x	y	z
x	5.009	0.088	0.000
y	0.088	3.228	-0.000
z	0.000	-0.000	1.880

<r²>	36.014
(<r²>)^1/2	6.001

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: LSDA/TZVP

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)