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	hartrees
Energy at 0K	-110.520631
Energy at 298.15K	-110.523333
HF Energy	-110.520631
Nuclear repulsion energy	31.875376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3038	3020	0.00
2	A_g	1602	1593	0.00
3	A_g	1547	1538	0.00
4	A_u	1301	1293	83.51
5	B_u	3058	3041	79.27
6	B_u	1309	1302	62.42

Atom	x (Å)	y (Å)
N1	0.000	0.628
N2	0.000	-0.628
H3	1.020	0.902
H4	-1.020	-0.902

	N1	N2	H3	H4
N1		1.2564	1.0560	1.8393
N2	1.2564		1.8393	1.0560
H3	1.0560	1.8393		2.7235
H4	1.8393	1.0560	2.7235

Number	Element	Mulliken
1	N	-0.115
2	N	-0.115
3	H	0.115
4	H	0.115

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

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	2.297	0.717	0.000
y	0.717	2.720	0.000
z	0.000	0.000	1.041

<r²>	16.463
(<r²>)^1/2	4.057

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

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