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	hartrees
Energy at 0K	-1810.933858
Energy at 298.15K	-1810.938363
HF Energy	-1810.395421
Nuclear repulsion energy	786.733291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	700	669	0.00
2	A₁	566	540	0.00
3	A₁	179	170	0.00
4	A₂	739	706	0.00
5	A₂	240	229	0.00
6	B₁	722	690	0.00
7	B₁	330	315	0.00
8	B₂	958	915	52.47
9	B₂	542	518	58.28
10	B₂	155	148	0.29
11	E	810	773	3.30
11	E	810	773	3.30
12	E	694	663	66.89
12	E	694	663	66.89
13	E	505	482	10.34
13	E	505	482	10.34
14	E	309	295	11.73
14	E	309	295	11.73

Atom	x (Å)	y (Å)	z (Å)
N1	1.314	1.314	0.000
N2	-1.314	1.314	0.000
N3	-1.314	-1.314	0.000
N4	1.314	-1.314	0.000
S5	0.000	1.396	0.967
S6	0.000	-1.396	0.967
S7	1.396	0.000	-0.967
S8	-1.396	0.000	-0.967

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6279	3.7164	2.6279	1.6333	3.1632	1.6333	3.1632
N2	2.6279		2.6279	3.7164	1.6333	3.1632	3.1632	1.6333
N3	3.7164	2.6279		2.6279	3.1632	1.6333	3.1632	1.6333
N4	2.6279	3.7164	2.6279		3.1632	1.6333	1.6333	3.1632
S5	1.6333	1.6333	3.1632	3.1632		2.7924	2.7634	2.7634
S6	3.1632	3.1632	1.6333	1.6333	2.7924		2.7634	2.7634
S7	1.6333	3.1632	3.1632	1.6333	2.7634	2.7634		2.7924
S8	3.1632	1.6333	1.6333	3.1632	2.7634	2.7634	2.7924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	107.119	N1	S7	N4	107.119
N2	S8	N3	107.119	N3	S6	N4	107.119
S5	N1	S7	115.550	S5	N2	S8	115.550
S6	N3	S8	115.550	S6	N4	S7	115.550

All results from a given calculation for S₄N₄ (Tetrasulfur tetranitride)

using model chemistry: B2PLYP/6-31G(2df,p)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	-0.254
2	N	-0.254
3	N	-0.254
4	N	-0.254
5	S	0.254
6	S	0.254
7	S	0.254
8	S	0.254

<r²>	326.829
(<r²>)^1/2	18.078

All results from a given calculation for S4N4 (Tetrasulfur tetranitride)

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for S₄N₄ (Tetrasulfur tetranitride)