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	hartrees
Energy at 0K	-110.097252
Energy at 298.15K	-110.099955
HF Energy	-110.097252
Nuclear repulsion energy	32.331156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3112	3078	0.00
2	A_g	1647	1629	0.00
3	A_g	1533	1516	0.00
4	A_u	1304	1290	97.53
5	B_u	3138	3104	35.81
6	B_u	1308	1294	88.21

Atom	x (Å)	y (Å)
N1	0.000	0.617
N2	0.000	-0.617
H3	1.002	0.915
H4	-1.002	-0.915

	N1	N2	H3	H4
N1		1.2344	1.0456	1.8313
N2	1.2344		1.8313	1.0456
H3	1.0456	1.8313		2.7148
H4	1.8313	1.0456	2.7148

Number	Element	Mulliken
1	N	-0.158
2	N	-0.158
3	H	0.158
4	H	0.158

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

using model chemistry: LSDA/cc-pVTZ

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	2.543	0.615	0.000
y	0.615	3.063	0.000
z	0.000	0.000	1.461

<r²>	16.422
(<r²>)^1/2	4.052

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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