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	hartrees
Energy at 0K	-110.581080
Energy at 298.15K	-110.583790
HF Energy	-110.463028
Nuclear repulsion energy	32.273964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3276	3127	0.00
2	A_g	1624	1550	0.00
3	A_g	1575	1503	0.00
4	A_u	1358	1296	94.38
5	B_u	3308	3157	30.56
6	B_u	1354	1292	72.81

Atom	x (Å)	y (Å)
N1	0.000	0.622
N2	0.000	-0.622
H3	0.989	0.915
H4	-0.989	-0.915

	N1	N2	H3	H4
N1		1.2443	1.0312	1.8274
N2	1.2443		1.8274	1.0312
H3	1.0312	1.8274		2.6939
H4	1.8274	1.0312	2.6939

Number	Element	Mulliken
1	N	-0.188
2	N	-0.188
3	H	0.188
4	H	0.188

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

using model chemistry: B2PLYP/TZVP

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	2.361	0.593	0.000
y	0.593	3.034	0.000
z	0.000	0.000	1.334

<r²>	16.576
(<r²>)^1/2	4.071

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

using model chemistry: B2PLYP/TZVP

States and conformations

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