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	hartrees
Energy at 0K	-130.404794
Energy at 298.15K	-130.405882
HF Energy	-130.404794
Nuclear repulsion energy	28.898127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3675	3533	73.03
2	A'	1276	1227	23.77
3	A'	1139	1095	154.73

Atom	x (Å)	y (Å)
N1	0.058	0.758
O2	0.058	-0.555
H3	-0.867	-0.863

	N1	O2	H3
N1		1.3130	1.8661
O2	1.3130		0.9745
H3	1.8661	0.9745

Number	Element	Mulliken
1	N	-0.060
2	O	-0.132
3	H	0.192

All results from a given calculation for NOH (Hydroxyimidogen)

using model chemistry: B1B95/cc-pVDZ

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
	-1.701	-1.385	0.000	2.194
CHELPG
AIM
ESP

	x	y	z
x	1.226	0.253	0.000
y	0.253	2.107	0.000
z	0.000	0.000	0.818

<r²>	14.740
(<r²>)^1/2	3.839