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	hartrees
Energy at 0K	-110.586152
Energy at 298.15K	-110.588865
HF Energy	-110.586152
Nuclear repulsion energy	32.368634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3284	3110	0.00
2	A_g	1745	1653	0.00
3	A_g	1652	1564	0.00
4	A_u	1371	1298	106.17
5	B_u	3313	3138	40.38
6	B_u	1389	1315	87.73

Atom	x (Å)	y (Å)
N1	0.000	0.619
N2	0.000	-0.619
H3	0.995	0.908
H4	-0.995	-0.908

	N1	N2	H3	H4
N1		1.2372	1.0364	1.8224
N2	1.2372		1.8224	1.0364
H3	1.0364	1.8224		2.6945
H4	1.8224	1.0364	2.6945

Number	Element	Mulliken
1	N	-0.327
2	N	-0.327
3	H	0.327
4	H	0.327

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

using model chemistry: M06-2X/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	2.163	0.705	0.000
y	0.705	2.682	0.000
z	0.000	0.000	0.949

<r²>	16.305
(<r²>)^1/2	4.038

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

using model chemistry: M06-2X/6-31G*

States and conformations

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