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	hartrees
Energy at 0K	-110.616133
Energy at 298.15K	-110.618845
HF Energy	-110.616133
Nuclear repulsion energy	32.317129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3224	3090	0.00
2	A_g	1710	1639	0.00
3	A_g	1613	1545	0.00
4	A_u	1354	1298	92.89
5	B_u	3251	3115	39.85
6	B_u	1356	1300	79.13

Atom	x (Å)	y (Å)
N1	0.000	0.619
N2	0.000	-0.619
H3	1.001	0.904
H4	-1.001	-0.904

	N1	N2	H3	H4
N1		1.2384	1.0409	1.8226
N2	1.2384		1.8226	1.0409
H3	1.0409	1.8226		2.6976
H4	1.8226	1.0409	2.6976

Number	Element	Mulliken
1	N	-0.124
2	N	-0.124
3	H	0.124
4	H	0.124

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

using model chemistry: mPW1PW91/cc-pVDZ

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	2.123	0.662	0.000
y	0.662	2.694	0.000
z	0.000	0.000	1.022

<r²>	16.182
(<r²>)^1/2	4.023

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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