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	hartrees
Energy at 0K	-80.009575
Energy at 298.15K	-80.013817
HF Energy	-80.009575
Nuclear repulsion energy	183.528033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	688	665	0.00
2	A₁	558	539	0.00
3	A₁	179	172	0.00
4	A₂	685	662	0.00
5	A₂	235	227	0.00
6	B₁	693	670	0.00
7	B₁	332	321	0.00
8	B₂	927	896	54.02
9	B₂	539	520	76.02
10	B₂	146	141	0.24
11	E	721	697	1.81
11	E	721	697	1.81
12	E	669	646	101.93
12	E	669	646	101.93
13	E	498	480	4.40
13	E	498	480	4.40
14	E	293	283	27.37
14	E	293	283	27.37

Atom	x (Å)	y (Å)	z (Å)
N1	1.338	1.338	0.000
N2	-1.338	1.338	0.000
N3	-1.338	-1.338	0.000
N4	1.338	-1.338	0.000
S5	0.000	1.407	0.984
S6	0.000	-1.407	0.984
S7	1.407	0.000	-0.984
S8	-1.407	0.000	-0.984

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6754	3.7835	2.6754	1.6621	3.2082	1.6621	3.2082
N2	2.6754		2.6754	3.7835	1.6621	3.2082	3.2082	1.6621
N3	3.7835	2.6754		2.6754	3.2082	1.6621	3.2082	1.6621
N4	2.6754	3.7835	2.6754		3.2082	1.6621	1.6621	3.2082
S5	1.6621	1.6621	3.2082	3.2082		2.8146	2.7991	2.7991
S6	3.2082	3.2082	1.6621	1.6621	2.8146		2.7991	2.7991
S7	1.6621	3.2082	3.2082	1.6621	2.7991	2.7991		2.8146
S8	3.2082	1.6621	1.6621	3.2082	2.7991	2.7991	2.8146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	107.180	N1	S7	N4	107.180
N2	S8	N3	107.180	N3	S6	N4	107.180
S5	N1	S7	114.707	S5	N2	S8	114.707
S6	N3	S8	114.707	S6	N4	S7	114.707

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

using model chemistry: B3LYP/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	-0.303
2	N	-0.303
3	N	-0.303
4	N	-0.303
5	S	0.303
6	S	0.303
7	S	0.303
8	S	0.303

<r²>	187.254
(<r²>)^1/2	13.684

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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