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	hartrees
Energy at 0K	-128.584927
Energy at 298.15K
HF Energy	-128.584927
Nuclear repulsion energy	28.774202

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'	3015	2659	126.69	61.23	0.32	0.49
2	A'	1681	1483	10.74	4.76	0.41	0.58
3	A'	1601	1412	14.42	10.64	0.73	0.84

Atom	x (Å)	y (Å)
H1	-1.010	0.936
N2	0.067	0.617
O3	0.067	-0.656

	H1	N2	O3
H1		1.1240	1.9227
N2	1.1240		1.2731
O3	1.9227	1.2731

Number	Element	Mulliken
1	H	0.129
2	N	-0.075
3	O	-0.054

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

using model chemistry: PBE1PBE/STO-3G

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
	-1.249	0.234	0.000	1.270
CHELPG
AIM
ESP

	x	y	z
x	0.747	-0.388	0.000
y	-0.388	1.265	0.000
z	0.000	0.000	0.375

<r²>	14.310
(<r²>)^1/2	3.783