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	hartrees
Energy at 0K	-110.519324
Energy at 298.15K	-110.522036
HF Energy	-110.519324
Nuclear repulsion energy	32.397265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3259	3119	0.00
2	A_g	1701	1628	0.00
3	A_g	1614	1544	0.00
4	A_u	1359	1301	92.50
5	B_u	3287	3145	36.69
6	B_u	1361	1303	92.17

Atom	x (Å)	y (Å)
N1	0.000	0.618
N2	0.000	-0.618
H3	0.994	0.908
H4	-0.994	-0.908

	N1	N2	H3	H4
N1		1.2360	1.0355	1.8214
N2	1.2360		1.8214	1.0355
H3	1.0355	1.8214		2.6930
H4	1.8214	1.0355	2.6930

Number	Element	Mulliken
1	N	-0.270
2	N	-0.270
3	H	0.270
4	H	0.270

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

using model chemistry: PBE1PBE/6-31G(2df,p)

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	2.301	0.652	0.000
y	0.652	2.765	0.000
z	0.000	0.000	1.269

<r²>	16.200
(<r²>)^1/2	4.025

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

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

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