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	hartrees
Energy at 0K	-185.677166
Energy at 298.15K	-185.680635
HF Energy	-185.677166
Nuclear repulsion energy	71.408446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3613	3572	51.92
2	A	3353	3315	3.07
3	A	1544	1526	24.87
4	A	1526	1508	235.99
5	A	1180	1167	102.88
6	A	1050	1038	80.44
7	A	704	696	2.96
8	A	597	590	0.47
9	A	259	256	221.74

Atom	x (Å)	y (Å)	z (Å)
O1	-1.134	0.223	-0.000
N2	-0.144	-0.511	0.000
N3	1.025	0.148	0.001
H4	1.039	1.177	-0.001
H5	1.872	-0.416	-0.003

	O1	N2	N3	H4	H5
O1		1.2327	2.1604	2.3730	3.0730
N2	1.2327		1.3421	2.0610	2.0179
N3	2.1604	1.3421		1.0286	1.0174
H4	2.3730	2.0610	1.0286		1.7972
H5	3.0730	2.0179	1.0174	1.7972

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.019		N2	N3	H4	120.197
N2	N3	H5	116.905		H4	N3	H5	122.897

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: PBEPBE/6-31+G**

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	-0.140
2	N	-0.126
3	N	-0.380
4	H	0.314
5	H	0.332

	x	y	z	Total
	3.751	0.817	-0.008	3.839
CHELPG
AIM
ESP

	x	y	z
x	5.394	0.080	0.000
y	0.080	3.400	-0.000
z	0.000	-0.000	2.322

<r²>	36.926
(<r²>)^1/2	6.077

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)