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	hartrees
Energy at 0K	-110.604550
Energy at 298.15K
HF Energy	-110.604550
Nuclear repulsion energy	32.717987

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	3080	3080	125.79	379.45	0.10	0.18
2	A₁	1740	1740	2.66	20.88	0.27	0.42
3	A₁	1647	1647	31.85	11.43	0.55	0.71
4	B₁	1020	1020	103.50	3.18	0.75	0.86
5	B₂	3058	3058	94.28	616.15	0.75	0.86
6	B₂	1335	1335	5.56	4.64	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	-0.455
N2	0.000	0.749
H3	0.863	-1.032
H4	-0.863	-1.032

	N1	N2	H3	H4
N1		1.2040	1.0386	1.0386
N2	1.2040		1.9795	1.9795
H3	1.0386	1.9795		1.7268
H4	1.0386	1.9795	1.7268

Number	Element	Mulliken
1	N	0.109
2	N	-0.823
3	H	0.357
4	H	0.357

All results from a given calculation for H₂NN (Isodiazene)

using model chemistry: B1B95/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>	16.613
(<r²>)^1/2	4.076

All results from a given calculation for H2NN (Isodiazene)

using model chemistry: B1B95/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NN (Isodiazene)