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	hartrees
Energy at 0K	-185.756038
Energy at 298.15K	-185.759694
HF Energy	-185.756038
Nuclear repulsion energy	69.656293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3601	3574	31.21
2	A	3335	3310	1.17
3	A	1571	1559	46.51
4	A	1374	1363	69.41
5	A	1132	1123	89.48
6	A	959	952	87.59
7	A	704	699	30.40
8	A	564	560	0.18
9	A	487	483	292.28

Atom	x (Å)	y (Å)	z (Å)
O1	-1.165	0.232	-0.000
N2	-0.144	-0.531	0.000
N3	1.051	0.155	-0.000
H4	1.063	1.183	0.000
H5	1.901	-0.404	-0.000

	O1	N2	N3	H4	H5
O1		1.2746	2.2173	2.4224	3.1310
N2	1.2746		1.3773	2.0959	2.0486
N3	2.2173	1.3773		1.0284	1.0169
H4	2.4224	2.0959	1.0284		1.7942
H5	3.1310	2.0486	1.0169	1.7942

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.410		N2	N3	H4	120.507
N2	N3	H5	116.860		H4	N3	H5	122.633

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: BLYP/6-31G

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	-0.325
2	N	0.146
3	N	-0.446
4	H	0.300
5	H	0.326

	x	y	z	Total
	3.774	0.854	0.000	3.870
CHELPG
AIM
ESP

	x	y	z
x	4.648	0.001	0.000
y	0.001	2.512	0.000
z	0.000	0.000	1.004

<r²>	37.979
(<r²>)^1/2	6.163

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)