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	hartrees
Energy at 0K	-109.952917
Energy at 298.15K	-109.955621
HF Energy	-109.952917
Nuclear repulsion energy	31.652189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3101	2967	0.00
2	A_g	1647	1575	0.00
3	A_g	1435	1373	0.00
4	A_u	1337	1279	116.46
5	B_u	3137	3001	58.31
6	B_u	1355	1296	96.11

Atom	x (Å)	y (Å)
N1	0.000	0.635
N2	0.000	-0.635
H3	1.004	0.932
H4	-1.004	-0.932

	N1	N2	H3	H4
N1		1.2710	1.0469	1.8612
N2	1.2710		1.8612	1.0469
H3	1.0469	1.8612		2.7395
H4	1.8612	1.0469	2.7395

Number	Element	Mulliken
1	N	-0.303
2	N	-0.303
3	H	0.303
4	H	0.303

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

using model chemistry: B1B95/3-21G

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	1.942	0.790	0.000
y	0.790	2.456	0.000
z	0.000	0.000	0.661

<r²>	16.620
(<r²>)^1/2	4.077

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

using model chemistry: B1B95/3-21G

States and conformations

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