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	hartrees
Energy at 0K	-110.631551
Energy at 298.15K	-110.634264
HF Energy	-110.631551
Nuclear repulsion energy	32.434674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3295	3152	0.00
2	A_g	1698	1624	0.00
3	A_g	1621	1551	0.00
4	A_u	1369	1309	98.31
5	B_u	3320	3176	25.95
6	B_u	1366	1306	82.62

Atom	x (Å)	y (Å)
N1	0.000	0.616
N2	0.000	-0.616
H3	0.986	0.916
H4	-0.986	-0.916

	N1	N2	H3	H4
N1		1.2324	1.0309	1.8221
N2	1.2324		1.8221	1.0309
H3	1.0309	1.8221		2.6920
H4	1.8221	1.0309	2.6920

Number	Element	Mulliken
1	N	-0.198
2	N	-0.198
3	H	0.198
4	H	0.198

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

using model chemistry: wB97X-D/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	2.152	0.617	0.000
y	0.617	2.819	0.000
z	0.000	0.000	1.161

<r²>	16.240
(<r²>)^1/2	4.030

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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