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	hartrees
Energy at 0K	-1811.636043
Energy at 298.15K	-1811.640155
HF Energy	-1811.636043
Nuclear repulsion energy	770.853253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	658	648	0.00
2	A₁	550	542	0.00
3	A₁	179	176	0.00
4	A₂	637	628	0.00
5	A₂	213	209	0.00
6	B₁	662	653	0.00
7	B₁	316	312	0.00
8	B₂	899	887	41.46
9	B₂	531	523	64.32
10	B₂	157	154	0.06
11	E	712	701	2.14
11	E	712	701	2.14
12	E	634	625	88.62
12	E	634	625	88.62
13	E	479	472	6.76
13	E	479	472	6.76
14	E	284	280	21.50
14	E	284	280	21.50

Atom	x (Å)	y (Å)	z (Å)
N1	1.339	1.339	0.000
N2	-1.339	1.339	0.000
N3	-1.339	-1.339	0.000
N4	1.339	-1.339	0.000
S5	0.000	1.437	0.978
S6	0.000	-1.437	0.978
S7	1.437	0.000	-0.978
S8	-1.437	0.000	-0.978

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6784	3.7878	2.6784	1.6612	3.2337	1.6612	3.2337
N2	2.6784		2.6784	3.7878	1.6612	3.2337	3.2337	1.6612
N3	3.7878	2.6784		2.6784	3.2337	1.6612	3.2337	1.6612
N4	2.6784	3.7878	2.6784		3.2337	1.6612	1.6612	3.2337
S5	1.6612	1.6612	3.2337	3.2337		2.8737	2.8206	2.8206
S6	3.2337	3.2337	1.6612	1.6612	2.8737		2.8206	2.8206
S7	1.6612	3.2337	3.2337	1.6612	2.8206	2.8206		2.8737
S8	3.2337	1.6612	1.6612	3.2337	2.8206	2.8206	2.8737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	107.442	N1	S7	N4	107.442
N2	S8	N3	107.442	N3	S6	N4	107.442
S5	N1	S7	116.196	S5	N2	S8	116.196
S6	N3	S8	116.196	S6	N4	S7	116.196

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

using model chemistry: B97D3/TZVP

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	-0.371
2	N	-0.371
3	N	-0.371
4	N	-0.371
5	S	0.371
6	S	0.371
7	S	0.371
8	S	0.371

<r²>	340.273
(<r²>)^1/2	18.446

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

using model chemistry: B97D3/TZVP

States and conformations

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