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	hartrees
Energy at 0K	-110.032168
Energy at 298.15K	-110.033270
HF Energy	-110.032168
Nuclear repulsion energy	27.325178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2739	2628	93.62
2	A'	1867	1791	28.03
3	A'	1145	1098	90.73

Atom	x (Å)	y (Å)
N1	-0.062	0.666
N2	-0.062	-0.521
H3	0.873	-1.013

	N1	N2	H3
N1		1.1877	1.9222
N2	1.1877		1.0566
H3	1.9222	1.0566

Number	Element	Mulliken
1	N	-0.083
2	N	-0.237
3	H	0.320

All results from a given calculation for NNH (Dinitrogen monohydride)

using model chemistry: TPSSh/6-31G*

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
	1.442	-1.246	0.000	1.906
CHELPG
AIM
ESP

	x	y	z
x	1.611	-0.478	0.000
y	-0.478	2.716	0.000
z	0.000	0.000	0.958

<r²>	13.811
(<r²>)^1/2	3.716