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	hartrees
Energy at 0K	-110.051138
Energy at 298.15K	-110.053863
HF Energy	-110.051138
Nuclear repulsion energy	33.116284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3548	3223	0.00
2	A_g	1871	1700	0.00
3	A_g	1727	1569	0.00
4	A_u	1461	1328	100.69
5	B_u	3585	3257	4.24
6	B_u	1453	1320	119.44

Atom	x (Å)	y (Å)
N1	0.000	0.604
N2	0.000	-0.604
H3	0.960	0.920
H4	-0.960	-0.920

	N1	N2	H3	H4
N1		1.2074	1.0110	1.8010
N2	1.2074		1.8010	1.0110
H3	1.0110	1.8010		2.6597
H4	1.8010	1.0110	2.6597

Number	Element	Mulliken
1	N	-0.304
2	N	-0.304
3	H	0.304
4	H	0.304

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

using model chemistry: HF/aug-cc-pVQZ

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	2.522	0.389	0.000
y	0.389	3.392	0.000
z	0.000	0.000	1.916

<r²>	16.072
(<r²>)^1/2	4.009

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

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