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	hartrees
Energy at 0K	-110.002090
Energy at 298.15K	-110.004790
HF Energy	-110.002090
Nuclear repulsion energy	31.470205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3033	2918	0.00
2	A_g	1640	1578	0.00
3	A_g	1393	1340	0.00
4	A_u	1324	1274	107.59
5	B_u	3067	2950	78.93
6	B_u	1354	1303	88.23

Atom	x (Å)	y (Å)
N1	0.000	0.639
N2	0.000	-0.639
H3	1.011	0.933
H4	-1.011	-0.933

	N1	N2	H3	H4
N1		1.2789	1.0524	1.8692
N2	1.2789		1.8692	1.0524
H3	1.0524	1.8692		2.7509
H4	1.8692	1.0524	2.7509

Number	Element	Mulliken
1	N	-0.288
2	N	-0.288
3	H	0.288
4	H	0.288

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

using model chemistry: B3LYP/3-21G*

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	2.000	0.816	0.000
y	0.816	2.469	0.000
z	0.000	0.000	0.668

<r²>	16.747
(<r²>)^1/2	4.092

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

using model chemistry: B3LYP/3-21G*

States and conformations

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