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	hartrees
Energy at 0K	-110.587356
Energy at 298.15K	-110.590061
HF Energy	-110.587356
Nuclear repulsion energy	31.778720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3177	3057	0.00
2	A_g	1631	1569	0.00
3	A_g	1539	1481	0.00
4	A_u	1337	1286	129.15
5	B_u	3212	3090	69.22
6	B_u	1340	1289	97.02

Atom	x (Å)	y (Å)
N1	0.000	0.632
N2	0.000	-0.632
H3	0.990	0.957
H4	-0.990	-0.957

	N1	N2	H3	H4
N1		1.2636	1.0421	1.8721
N2	1.2636		1.8721	1.0421
H3	1.0421	1.8721		2.7541
H4	1.8721	1.0421	2.7541

Number	Element	Mulliken
1	N	-0.297
2	N	-0.297
3	H	0.297
4	H	0.297

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

using model chemistry: B3LYP/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	2.117	0.790	0.000
y	0.790	2.766	0.000
z	0.000	0.000	0.806

<r²>	16.791
(<r²>)^1/2	4.098

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

using model chemistry: B3LYP/6-31G

States and conformations

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