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	hartrees
Energy at 0K	-110.029507
Energy at 298.15K	-110.030609
HF Energy	-110.029507
Nuclear repulsion energy	27.718159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2923	2791	49.95
2	A'	1928	1841	26.95
3	A'	1116	1065	99.79

Atom	x (Å)	y (Å)
N1	-0.062	0.657
N2	-0.062	-0.515
H3	0.868	-0.995

	N1	N2	H3
N1		1.1722	1.8960
N2	1.1722		1.0466
H3	1.8960	1.0466

Number	Element	Mulliken
1	N	-0.105
2	N	-0.101
3	H	0.206

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

using model chemistry: wB97X-D/TZVP

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
	1.532	-1.368	0.000	2.054
CHELPG
AIM
ESP

	x	y	z
x	1.814	-0.426	0.000
y	-0.426	3.007	0.000
z	0.000	0.000	1.200

<r²>	13.753
(<r²>)^1/2	3.708