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	hartrees
Energy at 0K	-109.142835
Energy at 298.15K	-109.145517
HF Energy	-109.142835
Nuclear repulsion energy	30.556050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3321	2939	0.00
2	A_g	1700	1505	0.00
3	A_g	1575	1394	0.00
4	A_u	1323	1171	56.21
5	B_u	3338	2955	63.13
6	B_u	1376	1218	56.33

Atom	x (Å)	y (Å)
N1	0.000	0.660
N2	0.000	-0.660
H3	1.069	0.890
H4	-1.069	-0.890

	N1	N2	H3	H4
N1		1.3194	1.0931	1.8822
N2	1.3194		1.8822	1.0931
H3	1.0931	1.8822		2.7811
H4	1.8822	1.0931	2.7811

Number	Element	Mulliken
1	N	-0.162
2	N	-0.162
3	H	0.162
4	H	0.162

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

using model chemistry: B3PW91/STO-3G

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	1.430	0.714	0.000
y	0.714	1.601	0.000
z	0.000	0.000	0.416

<r²>	16.794
(<r²>)^1/2	4.098

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

using model chemistry: B3PW91/STO-3G

States and conformations

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