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	hartrees
Energy at 0K	-110.538210
Energy at 298.15K	-110.540917
HF Energy	-110.538210
Nuclear repulsion energy	31.971944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3240	3090	0.00
2	A_g	1653	1576	0.00
3	A_g	1575	1502	0.00
4	A_u	1351	1289	136.26
5	B_u	3275	3123	52.23
6	B_u	1343	1281	103.49

Atom	x (Å)	y (Å)
N1	0.000	0.628
N2	0.000	-0.628
H3	0.984	0.955
H4	-0.984	-0.955

	N1	N2	H3	H4
N1		1.2552	1.0368	1.8637
N2	1.2552		1.8637	1.0368
H3	1.0368	1.8637		2.7424
H4	1.8637	1.0368	2.7424

Number	Element	Mulliken
1	N	-0.310
2	N	-0.310
3	H	0.310
4	H	0.310

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

using model chemistry: B1B95/6-31G

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	2.055	0.760	0.000
y	0.760	2.746	0.000
z	0.000	0.000	0.801

<r²>	16.655
(<r²>)^1/2	4.081

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

using model chemistry: B1B95/6-31G

States and conformations

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