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	hartrees
Energy at 0K	-110.618573
Energy at 298.15K	-110.621278
HF Energy	-110.618573
Nuclear repulsion energy	32.191938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3110	3065	0.00
2	A_g	1606	1583	0.00
3	A_g	1552	1529	0.00
4	A_u	1329	1309	88.86
5	B_u	3138	3093	73.65
6	B_u	1334	1314	60.25

Atom	x (Å)	y (Å)
N1	0.000	0.622
N2	0.000	-0.622
H3	0.999	0.915
H4	-0.999	-0.915

	N1	N2	H3	H4
N1		1.2441	1.0415	1.8334
N2	1.2441		1.8334	1.0415
H3	1.0415	1.8334		2.7101
H4	1.8334	1.0415	2.7101

Number	Element	Mulliken
1	N	-0.192
2	N	-0.192
3	H	0.192
4	H	0.192

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

using model chemistry: B97D3/TZVP

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	2.525	0.657	0.000
y	0.657	3.118	0.000
z	0.000	0.000	1.350

<r²>	16.561
(<r²>)^1/2	4.069

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

using model chemistry: B97D3/TZVP

States and conformations

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