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	hartrees
Energy at 0K	-110.642985
Energy at 298.15K	-110.645689
HF Energy	-110.642985
Nuclear repulsion energy	31.916238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3060	3053	0.00
2	A_g	1611	1607	0.00
3	A_g	1531	1527	0.00
4	A_u	1321	1317	95.40
5	B_u	3091	3083	89.48
6	B_u	1346	1343	61.42

Atom	x (Å)	y (Å)
N1	0.000	0.628
N2	0.000	-0.628
H3	1.006	0.919
H4	-1.006	-0.919

	N1	N2	H3	H4
N1		1.2569	1.0467	1.8453
N2	1.2569		1.8453	1.0467
H3	1.0467	1.8453		2.7243
H4	1.8453	1.0467	2.7243

Number	Element	Mulliken
1	N	-0.282
2	N	-0.282
3	H	0.282
4	H	0.282

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

using model chemistry: BLYP/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	2.289	0.698	0.000
y	0.698	2.812	0.000
z	0.000	0.000	1.100

<r²>	16.643
(<r²>)^1/2	4.080

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

using model chemistry: BLYP/6-311G*

States and conformations

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