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	hartrees
Energy at 0K	-110.605180
Energy at 298.15K	-110.607892
HF Energy	-110.605180
Nuclear repulsion energy	32.335389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3268	3099	0.00
2	A_g	1708	1619	0.00
3	A_g	1647	1562	0.00
4	A_u	1368	1298	104.42
5	B_u	3295	3124	55.08
6	B_u	1384	1312	85.54

Atom	x (Å)	y (Å)
N1	0.000	0.620
N2	0.000	-0.620
H3	0.995	0.908
H4	-0.995	-0.908

	N1	N2	H3	H4
N1		1.2393	1.0357	1.8233
N2	1.2393		1.8233	1.0357
H3	1.0357	1.8233		2.6941
H4	1.8233	1.0357	2.6941

Number	Element	Mulliken
1	N	-0.330
2	N	-0.330
3	H	0.330
4	H	0.330

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

using model chemistry: mPW1PW91/6-31G*

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	2.160	0.698	0.000
y	0.698	2.689	0.000
z	0.000	0.000	0.962

<r²>	16.285
(<r²>)^1/2	4.035

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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