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	hartrees
Energy at 0K	-110.522352
Energy at 298.15K	-110.525063
HF Energy	-110.522352
Nuclear repulsion energy	32.370334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3308	3160	0.00
2	A_g	1709	1633	0.00
3	A_g	1607	1536	0.00
4	A_u	1358	1297	98.60
5	B_u	3336	3186	17.22
6	B_u	1351	1291	78.48

Atom	x (Å)	y (Å)
N1	0.000	0.619
N2	0.000	-0.619
H3	0.990	0.915
H4	-0.990	-0.915

	N1	N2	H3	H4
N1		1.2378	1.0334	1.8260
N2	1.2378		1.8260	1.0334
H3	1.0334	1.8260		2.6968
H4	1.8260	1.0334	2.6968

Number	Element	Mulliken
1	N	-0.287
2	N	-0.287
3	H	0.287
4	H	0.287

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

using model chemistry: PBE1PBE/6-31+G**

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	2.366	0.431	0.000
y	0.431	3.221	0.000
z	0.000	0.000	1.509

<r²>	16.552
(<r²>)^1/2	4.068

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

using model chemistry: PBE1PBE/6-31+G**

States and conformations

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