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	hartrees
Energy at 0K	-130.484178
Energy at 298.15K
HF Energy	-130.484178
Nuclear repulsion energy	30.721522

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'	2934	2934	127.64	211.88	0.36	0.53
2	A'	1728	1728	81.35	14.58	0.66	0.80
3	A'	1580	1580	11.82	10.64	0.45	0.62

Atom	x (Å)	y (Å)
H1	-0.939	0.916
N2	0.063	0.573
O3	0.063	-0.616

	H1	N2	O3
H1		1.0585	1.8305
N2	1.0585		1.1897
O3	1.8305	1.1897

Number	Element	Mulliken
1	H	0.128
2	N	0.104
3	O	-0.232

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

using model chemistry: mPW1PW91/6-311+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
	-1.409	0.900	0.000	1.672
CHELPG
AIM
ESP

	x	y	z
x	2.097	-0.337	0.000
y	-0.337	2.606	0.000
z	0.000	0.000	1.447

<r²>	14.118
(<r²>)^1/2	3.757