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	hartrees
Energy at 0K	-184.875841
Energy at 298.15K	-184.879567
HF Energy	-184.875841
Nuclear repulsion energy	73.836710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3966	3587	55.62
2	A	3782	3421	26.25
3	A	1884	1703	198.89
4	A	1801	1629	121.63
5	A	1400	1266	126.57
6	A	1242	1123	114.61
7	A	746	675	12.78
8	A	689	623	8.52
9	A	382	345	370.20

Atom	x (Å)	y (Å)	z (Å)
O1	-1.094	0.216	0.006
N2	-0.153	-0.487	0.005
N3	1.004	0.139	-0.056
H4	1.001	1.120	0.122
H5	1.793	-0.408	0.186

	O1	N2	N3	H4	H5
O1		1.1745	2.0998	2.2847	2.9590
N2	1.1745		1.3172	1.9827	1.9563
N3	2.0998	1.3172		0.9973	0.9906
H4	2.2847	1.9827	0.9973		1.7228
H5	2.9590	1.9563	0.9906	1.7228

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.746		N2	N3	H4	117.218
N2	N3	H5	115.195		H4	N3	H5	120.141

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: HF/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	-0.358
2	N	0.256
3	N	-0.646
4	H	0.366
5	H	0.382

	x	y	z	Total
	3.444	0.535	0.733	3.561
CHELPG
AIM
ESP

	x	y	z
x	3.861	-0.182	0.006
y	-0.182	2.258	0.015
z	0.006	0.015	1.380

<r²>	35.036
(<r²>)^1/2	5.919

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)