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	hartrees
Energy at 0K	-20.460336
Energy at 298.15K	-20.463059
HF Energy	-20.460336
Nuclear repulsion energy	19.034685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3624	3254	0.00
2	A_g	1910	1715	0.00
3	A_g	1744	1566	0.00
4	A_u	1458	1309	112.58
5	B_u	3654	3281	9.85
6	B_u	1453	1305	96.92

Atom	x (Å)	y (Å)
N1	0.000	0.617
N2	0.000	-0.617
H3	0.974	0.915
H4	-0.974	-0.915

	N1	N2	H3	H4
N1		1.2337	1.0182	1.8149
N2	1.2337		1.8149	1.0182
H3	1.0182	1.8149		2.6719
H4	1.8149	1.0182	2.6719

Number	Element	Mulliken
1	N	-0.279
2	N	-0.279
3	H	0.279
4	H	0.279

All results from a given calculation for N₂H₂ ((E)-diazene)

using model chemistry: HF/CEP-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
x	2.050	0.622	0.000
y	0.622	3.038	0.000
z	0.000	0.000	0.886

<r²>	14.762
(<r²>)^1/2	3.842

All results from a given calculation for N2H2 ((E)-diazene)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for N₂H₂ ((E)-diazene)