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	hartrees
Energy at 0K	-79.655815
Energy at 298.15K	-79.658760
HF Energy	-79.655815
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	601	601	0.00
2	A₁	513	513	0.00
3	A₁	168	168	0.00
4	A₂	509	509	0.00
5	A₂	159	159	0.00
6	B₁	518	518	0.00
7	B₁	289	289	0.00
8	B₂	831	831	11.85
9	B₂	472	472	76.31
10	B₂	171	171	0.23
11	E	632	632	33.10
11	E	632	632	33.10
12	E	494	494	25.90
12	E	494	494	25.90
13	E	432	432	15.02
13	E	432	432	15.02
14	E	151	151	48.55
14	E	151	151	48.55

Atom	x (Å)	y (Å)	z (Å)
N1	1.420	1.420	0.000
N2	-1.420	1.420	0.000
N3	-1.420	-1.420	0.000
N4	1.420	-1.420	0.000
S5	0.000	1.513	1.057
S6	0.000	-1.513	1.057
S7	1.513	0.000	-1.057
S8	-1.513	0.000	-1.057

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.8404	4.0169	2.8404	1.7729	3.4261	1.7729	3.4261
N2	2.8404		2.8404	4.0169	1.7729	3.4261	3.4261	1.7729
N3	4.0169	2.8404		2.8404	3.4261	1.7729	3.4261	1.7729
N4	2.8404	4.0169	2.8404		3.4261	1.7729	1.7729	3.4261
S5	1.7729	1.7729	3.4261	3.4261		3.0259	3.0082	3.0082
S6	3.4261	3.4261	1.7729	1.7729	3.0259		3.0082	3.0082
S7	1.7729	3.4261	3.4261	1.7729	3.0082	3.0082		3.0259
S8	3.4261	1.7729	1.7729	3.4261	3.0082	3.0082	3.0259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.458	N1	S7	N4	106.458
N2	S8	N3	106.458	N3	S6	N4	106.458
S5	N1	S7	116.068	S5	N2	S8	116.068
S6	N3	S8	116.068	S6	N4	S7	116.068

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

using model chemistry: wB97X-D/CEP-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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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	-0.526
2	N	-0.526
3	N	-0.526
4	N	-0.526
5	S	0.526
6	S	0.526
7	S	0.526
8	S	0.526

<r²>	210.050
(<r²>)^1/2	14.493

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

using model chemistry: wB97X-D/CEP-31G

States and conformations

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