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	hartrees
Energy at 0K	-110.632842
Energy at 298.15K	-110.635556
HF Energy	-110.632842
Nuclear repulsion energy	32.462760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3280	3130	0.00
2	A_g	1702	1624	0.00
3	A_g	1654	1578	0.00
4	A_u	1381	1318	102.25
5	B_u	3313	3162	46.38
6	B_u	1387	1323	75.20

Atom	x (Å)	y (Å)
N1	0.000	0.617
N2	0.000	-0.617
H3	0.987	0.914
H4	-0.987	-0.914

	N1	N2	H3	H4
N1		1.2339	1.0310	1.8217
N2	1.2339		1.8217	1.0310
H3	1.0310	1.8217		2.6908
H4	1.8217	1.0310	2.6908

Number	Element	Mulliken
1	N	-0.304
2	N	-0.304
3	H	0.304
4	H	0.304

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

using model chemistry: mPW1PW91/6-311G*

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	2.114	0.634	0.000
y	0.634	2.759	0.000
z	0.000	0.000	1.077

<r²>	16.257
(<r²>)^1/2	4.032

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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