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	hartrees
Energy at 0K	-1811.724949
Energy at 298.15K	-1811.729286
HF Energy	-1811.724949
Nuclear repulsion energy	781.886556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	679	670	0.00
2	A₁	560	553	0.00
3	A₁	182	180	0.00
4	A₂	682	672	0.00
5	A₂	230	227	0.00
6	B₁	695	686	0.00
7	B₁	325	320	0.00
8	B₂	919	906	51.23
9	B₂	534	526	53.07
10	B₂	155	153	0.30
11	E	736	726	0.00
11	E	736	726	0.00
12	E	666	657	83.08
12	E	666	657	83.08
13	E	497	490	6.59
13	E	497	490	6.59
14	E	298	294	16.65
14	E	298	294	16.65

Atom	x (Å)	y (Å)	z (Å)
N1	1.323	1.323	0.000
N2	-1.323	1.323	0.000
N3	-1.323	-1.323	0.000
N4	1.323	-1.323	0.000
S5	0.000	1.405	0.971
S6	0.000	-1.405	0.971
S7	1.405	0.000	-0.971
S8	-1.405	0.000	-0.971

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6467	3.7431	2.6467	1.6436	3.1839	1.6436	3.1839
N2	2.6467		2.6467	3.7431	1.6436	3.1839	3.1839	1.6436
N3	3.7431	2.6467		2.6467	3.1839	1.6436	3.1839	1.6436
N4	2.6467	3.7431	2.6467		3.1839	1.6436	1.6436	3.1839
S5	1.6436	1.6436	3.1839	3.1839		2.8095	2.7786	2.7786
S6	3.1839	3.1839	1.6436	1.6436	2.8095		2.7786	2.7786
S7	1.6436	3.1839	3.1839	1.6436	2.7786	2.7786		2.8095
S8	3.1839	1.6436	1.6436	3.1839	2.7786	2.7786	2.8095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	107.251	N1	S7	N4	107.251
N2	S8	N3	107.251	N3	S6	N4	107.251
S5	N1	S7	115.403	S5	N2	S8	115.403
S6	N3	S8	115.403	S6	N4	S7	115.403

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

using model chemistry: B97D3/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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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	-0.366
2	N	-0.366
3	N	-0.366
4	N	-0.366
5	S	0.366
6	S	0.366
7	S	0.366
8	S	0.366

<r²>	330.219
(<r²>)^1/2	18.172

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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