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	hartrees
Energy at 0K	-184.849957
Energy at 298.15K	-184.853632
HF Energy	-184.849957
Nuclear repulsion energy	73.826895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3958	3584	71.83
2	A	3766	3410	36.09
3	A	1872	1695	187.82
4	A	1760	1594	110.88
5	A	1378	1248	125.30
6	A	1235	1119	102.74
7	A	741	671	9.95
8	A	689	624	5.78
9	A	337	305	310.48

Atom	x (Å)	y (Å)	z (Å)
O1	-1.094	0.215	0.006
N2	-0.152	-0.488	0.004
N3	1.003	0.140	-0.050
H4	0.999	1.125	0.109
H5	1.797	-0.411	0.168

	O1	N2	N3	H4	H5
O1		1.1762	2.0990	2.2842	2.9628
N2	1.1762		1.3151	1.9838	1.9570
N3	2.0990	1.3151		0.9978	0.9910
H4	2.2842	1.9838	0.9978		1.7320
H5	2.9628	1.9570	0.9910	1.7320

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.700		N2	N3	H4	117.459
N2	N3	H5	115.403		H4	N3	H5	121.122

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: HF/6-31G(2df,p)

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	-0.406
2	N	0.246
3	N	-0.454
4	H	0.300
5	H	0.314

	x	y	z	Total
	3.371	0.594	0.593	3.474
CHELPG
AIM
ESP

	x	y	z
x	3.932	-0.102	0.009
y	-0.102	2.386	0.005
z	0.009	0.005	1.621

<r²>	34.849
(<r²>)^1/2	5.903

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)