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	hartrees
Energy at 0K	-184.967712
Energy at 298.15K	-184.971340
HF Energy	-184.967712
Nuclear repulsion energy	72.492403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3593	3549	62.62
2	A	3310	3269	0.25
3	A	1598	1579	148.83
4	A	1505	1487	109.67
5	A	1201	1186	89.18
6	A	1101	1087	28.76
7	A	741	732	5.65
8	A	609	602	0.81
9	A	361	356	203.06

Atom	x (Å)	y (Å)	z (Å)
O1	-1.116	0.216	0.000
N2	-0.140	-0.503	-0.000
N3	1.007	0.146	-0.000
H4	0.992	1.177	-0.000
H5	1.860	-0.408	0.001

	O1	N2	N3	H4	H5
O1		1.2124	2.1240	2.3163	3.0405
N2	1.2124		1.3181	2.0260	2.0021
N3	2.1240	1.3181		1.0312	1.0171
H4	2.3163	2.0260	1.0312		1.8075
H5	3.0405	2.0021	1.0171	1.8075

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.086		N2	N3	H4	118.663
N2	N3	H5	117.462		H4	N3	H5	123.875

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: LSDA/6-311G**

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	-0.266
2	N	0.081
3	N	-0.288
4	H	0.216
5	H	0.256

	x	y	z	Total
	3.615	0.728	0.001	3.687
CHELPG
AIM
ESP

	x	y	z
x	4.669	0.120	0.000
y	0.120	2.943	-0.000
z	0.000	-0.000	1.444

<r²>	35.835
(<r²>)^1/2	5.986

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: LSDA/6-311G**

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)