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	hartrees
Energy at 0K	-130.390331
Energy at 298.15K
HF Energy	-130.390331
Nuclear repulsion energy	30.257716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	2686	2664	195.25	248.87	0.37	0.54
2	A'	1607	1594	92.52	15.12	0.69	0.82
3	A'	1507	1495	7.17	20.09	0.49	0.66

Atom	x (Å)	y (Å)
H1	-0.959	0.929
N2	0.064	0.582
O3	0.064	-0.625

	H1	N2	O3
H1		1.0800	1.8604
N2	1.0800		1.2070
O3	1.8604	1.2070

Number	Element	Mulliken
1	H	0.128
2	N	0.083
3	O	-0.210

All results from a given calculation for HNO (Nitrosyl hydride)

using model chemistry: PBEPBE/6-311+G(3df,2p)

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.318	0.803	0.000	1.543
CHELPG
AIM
ESP

	x	y	z
x	2.312	-0.411	0.000
y	-0.411	2.742	0.000
z	0.000	0.000	1.489

<r²>	14.460
(<r²>)^1/2	3.803