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	hartrees
Energy at 0K	-110.601501
Energy at 298.15K	-110.604212
HF Energy	-110.601501
Nuclear repulsion energy	32.350110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3226	3100	0.00
2	A_g	1713	1647	0.00
3	A_g	1610	1547	0.00
4	A_u	1352	1300	91.36
5	B_u	3253	3127	39.90
6	B_u	1353	1301	78.01

Atom	x (Å)	y (Å)
N1	0.000	0.619
N2	0.000	-0.619
H3	1.000	0.902
H4	-1.000	-0.902

	N1	N2	H3	H4
N1		1.2372	1.0398	1.8203
N2	1.2372		1.8203	1.0398
H3	1.0398	1.8203		2.6943
H4	1.8203	1.0398	2.6943

Number	Element	Mulliken
1	N	-0.120
2	N	-0.120
3	H	0.120
4	H	0.120

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

using model chemistry: B1B95/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	2.122	0.664	0.000
y	0.664	2.677	0.000
z	0.000	0.000	1.018

<r²>	16.153
(<r²>)^1/2	4.019

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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