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	hartrees
Energy at 0K	-110.523685
Energy at 298.15K
HF Energy	-110.523685
Nuclear repulsion energy	32.677075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3079	3079	126.34	376.14	0.10	0.18
2	A₁	1740	1740	3.13	20.14	0.27	0.42
3	A₁	1653	1653	32.07	10.66	0.60	0.75
4	B₁	1019	1019	104.13	3.18	0.75	0.86
5	B₂	3052	3052	97.02	623.34	0.75	0.86
6	B₂	1336	1336	5.86	4.73	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	-0.455
N2	0.000	0.750
H3	0.865	-1.034
H4	-0.865	-1.034

	N1	N2	H3	H4
N1		1.2050	1.0411	1.0411
N2	1.2050		1.9826	1.9826
H3	1.0411	1.9826		1.7309
H4	1.0411	1.9826	1.7309

Number	Element	Mulliken
1	N	0.241
2	N	-0.829
3	H	0.294
4	H	0.294

All results from a given calculation for H₂NN (Isodiazene)

using model chemistry: PBE1PBE/daug-cc-pVTZ

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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<r²>	16.659
(<r²>)^1/2	4.082

All results from a given calculation for H2NN (Isodiazene)

using model chemistry: PBE1PBE/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NN (Isodiazene)