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	hartrees
Energy at 0K	-110.517258
Energy at 298.15K	-110.519960
HF Energy	-110.517258
Nuclear repulsion energy	31.902914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3092	3050	0.00
2	A_g	1603	1581	0.00
3	A_g	1553	1532	0.00
4	A_u	1310	1292	93.29
5	B_u	3110	3067	89.41
6	B_u	1319	1301	69.09

Atom	x (Å)	y (Å)
N1	0.000	0.628
N2	0.000	-0.628
H3	1.013	0.906
H4	-1.013	-0.906

	N1	N2	H3	H4
N1		1.2570	1.0506	1.8392
N2	1.2570		1.8392	1.0506
H3	1.0506	1.8392		2.7189
H4	1.8392	1.0506	2.7189

Number	Element	Mulliken
1	N	-0.258
2	N	-0.258
3	H	0.258
4	H	0.258

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

using model chemistry: PBEPBEultrafine/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	2.370	0.758	0.000
y	0.758	2.741	0.000
z	0.000	0.000	1.010

<r²>	16.549
(<r²>)^1/2	4.068

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

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

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