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	hartrees
Energy at 0K	-110.546090
Energy at 298.15K	-110.548804
HF Energy	-110.546090
Nuclear repulsion energy	32.451322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3273	3140	0.00
2	A_g	1702	1633	0.00
3	A_g	1650	1584	0.00
4	A_u	1378	1322	102.12
5	B_u	3306	3173	46.11
6	B_u	1384	1328	74.81

Atom	x (Å)	y (Å)
N1	0.000	0.617
N2	0.000	-0.617
H3	0.988	0.914
H4	-0.988	-0.914

	N1	N2	H3	H4
N1		1.2342	1.0319	1.8221
N2	1.2342		1.8221	1.0319
H3	1.0319	1.8221		2.6920
H4	1.8221	1.0319	2.6920

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: HSEh1PBE/6-311G*

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	2.119	0.636	0.000
y	0.636	2.755	0.000
z	0.000	0.000	1.077

<r²>	16.277
(<r²>)^1/2	4.034

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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