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	hartrees
Energy at 0K	-1811.829433
Energy at 298.15K	-1811.834137
HF Energy	-1811.829433
Nuclear repulsion energy	794.496311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	723	699	0.00
2	A₁	581	562	0.00
3	A₁	196	190	0.00
4	A₂	754	729	0.00
5	A₂	261	252	0.00
6	B₁	736	711	0.00
7	B₁	341	330	0.00
8	B₂	976	944	74.45
9	B₂	564	545	61.85
10	B₂	160	155	0.67
11	E	763	738	2.43
11	E	763	738	2.43
12	E	709	686	106.78
12	E	709	686	106.78
13	E	525	508	6.05
13	E	525	508	6.05
14	E	328	317	22.20
14	E	328	317	22.20

Atom	x (Å)	y (Å)	z (Å)
N1	1.299	1.299	0.000
N2	-1.299	1.299	0.000
N3	-1.299	-1.299	0.000
N4	1.299	-1.299	0.000
S5	0.000	1.374	0.968
S6	0.000	-1.374	0.968
S7	1.374	0.000	-0.968
S8	-1.374	0.000	-0.968

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5972	3.6730	2.5972	1.6212	3.1246	1.6212	3.1246
N2	2.5972		2.5972	3.6730	1.6212	3.1246	3.1246	1.6212
N3	3.6730	2.5972		2.5972	3.1246	1.6212	3.1246	1.6212
N4	2.5972	3.6730	2.5972		3.1246	1.6212	1.6212	3.1246
S5	1.6212	1.6212	3.1246	3.1246		2.7471	2.7421	2.7421
S6	3.1246	3.1246	1.6212	1.6212	2.7471		2.7421	2.7421
S7	1.6212	3.1246	3.1246	1.6212	2.7421	2.7421		2.7471
S8	3.1246	1.6212	1.6212	3.1246	2.7421	2.7421	2.7471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.448	N1	S7	N4	106.448
N2	S8	N3	106.448	N3	S6	N4	106.448
S5	N1	S7	115.489	S5	N2	S8	115.489
S6	N3	S8	115.489	S6	N4	S7	115.489

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-0.245
2	N	-0.245
3	N	-0.245
4	N	-0.245
5	S	0.245
6	S	0.245
7	S	0.245
8	S	0.245

<r²>	321.285
(<r²>)^1/2	17.924

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

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

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