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	hartrees
Energy at 0K	-110.606391
Energy at 298.15K	-110.609100
HF Energy	-110.469131
Nuclear repulsion energy	32.299616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3275	3147	0.00
2	A_g	1625	1562	0.00
3	A_g	1567	1506	0.00
4	A_u	1342	1290	86.76
5	B_u	3308	3179	18.23
6	B_u	1354	1301	91.12

Atom	x (Å)	y (Å)
N1	0.000	0.622
N2	0.000	-0.622
H3	0.986	0.917
H4	-0.986	-0.917

	N1	N2	H3	H4
N1		1.2432	1.0298	1.8280
N2	1.2432		1.8280	1.0298
H3	1.0298	1.8280		2.6942
H4	1.8280	1.0298	2.6942

Number	Element	Mulliken
1	N	-0.215
2	N	-0.215
3	H	0.215
4	H	0.215

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

using model chemistry: B2PLYP/aug-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	2.857	0.393	0.000
y	0.393	3.498	0.000
z	0.000	0.000	2.051

<r²>	16.626
(<r²>)^1/2	4.078

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

using model chemistry: B2PLYP/aug-cc-pVTZ

States and conformations

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