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	hartrees
Energy at 0K	-1811.616232
Energy at 298.15K	-1811.621370
HF Energy	-1811.616232
Nuclear repulsion energy	807.842468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	781	746	0.00
2	A₁	595	568	0.00
3	A₁	238	227	0.00
4	A₂	790	755	0.00
5	A₂	289	276	0.00
6	B₁	792	756	0.00
7	B₁	365	348	0.00
8	B₂	1018	972	90.62
9	B₂	584	558	70.13
10	B₂	204	194	0.78
11	E	798	762	11.06
11	E	798	762	11.06
12	E	765	730	113.49
12	E	765	730	113.49
13	E	551	527	3.82
13	E	551	527	3.82
14	E	348	333	29.48
14	E	348	333	29.48

Atom	x (Å)	y (Å)	z (Å)
N1	1.286	1.286	0.000
N2	-1.286	1.286	0.000
N3	-1.286	-1.286	0.000
N4	1.286	-1.286	0.000
S5	0.000	1.299	0.986
S6	0.000	-1.299	0.986
S7	1.299	0.000	-0.986
S8	-1.299	0.000	-0.986

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5718	3.6371	2.5718	1.6206	3.0512	1.6206	3.0512
N2	2.5718		2.5718	3.6371	1.6206	3.0512	3.0512	1.6206
N3	3.6371	2.5718		2.5718	3.0512	1.6206	3.0512	1.6206
N4	2.5718	3.6371	2.5718		3.0512	1.6206	1.6206	3.0512
S5	1.6206	1.6206	3.0512	3.0512		2.5987	2.6957	2.6957
S6	3.0512	3.0512	1.6206	1.6206	2.5987		2.6957	2.6957
S7	1.6206	3.0512	3.0512	1.6206	2.6957	2.6957		2.5987
S8	3.0512	1.6206	1.6206	3.0512	2.6957	2.6957	2.5987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	105.026	N1	S7	N4	105.026
N2	S8	N3	105.026	N3	S6	N4	105.026
S5	N1	S7	112.549	S5	N2	S8	112.549
S6	N3	S8	112.549	S6	N4	S7	112.549

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

using model chemistry: M06-2X/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	-0.398
2	N	-0.398
3	N	-0.398
4	N	-0.398
5	S	0.398
6	S	0.398
7	S	0.398
8	S	0.398

<r²>	308.897
(<r²>)^1/2	17.575

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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