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	hartrees
Energy at 0K	-1811.075352
Energy at 298.15K	-1811.080327
HF Energy	-1811.075352
Nuclear repulsion energy	803.408511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	756	727	0.00
2	A₁	582	560	0.00
3	A₁	221	212	0.00
4	A₂	778	748	0.00
5	A₂	278	267	0.00
6	B₁	769	739	0.00
7	B₁	353	339	0.00
8	B₂	993	955	70.65
9	B₂	570	548	62.38
10	B₂	184	177	0.85
11	E	808	777	5.48
11	E	808	777	5.48
12	E	742	713	103.81
12	E	742	713	103.81
13	E	536	516	4.62
13	E	536	516	4.62
14	E	344	331	18.47
14	E	344	331	18.47

Atom	x (Å)	y (Å)	z (Å)
N1	1.293	1.293	0.000
N2	-1.293	1.293	0.000
N3	-1.293	-1.293	0.000
N4	1.293	-1.293	0.000
S5	0.000	1.319	0.981
S6	0.000	-1.319	0.981
S7	1.319	0.000	-0.981
S8	-1.319	0.000	-0.981

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5852	3.6560	2.5852	1.6230	3.0751	1.6230	3.0751
N2	2.5852		2.5852	3.6560	1.6230	3.0751	3.0751	1.6230
N3	3.6560	2.5852		2.5852	3.0751	1.6230	3.0751	1.6230
N4	2.5852	3.6560	2.5852		3.0751	1.6230	1.6230	3.0751
S5	1.6230	1.6230	3.0751	3.0751		2.6389	2.7079	2.7079
S6	3.0751	3.0751	1.6230	1.6230	2.6389		2.7079	2.7079
S7	1.6230	3.0751	3.0751	1.6230	2.7079	2.7079		2.6389
S8	3.0751	1.6230	1.6230	3.0751	2.7079	2.7079	2.6389

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	105.578	N1	S7	N4	105.578
N2	S8	N3	105.578	N3	S6	N4	105.578
S5	N1	S7	113.065	S5	N2	S8	113.065
S6	N3	S8	113.065	S6	N4	S7	113.065

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

using model chemistry: HSEh1PBE/aug-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	-0.713
2	N	-0.713
3	N	-0.713
4	N	-0.713
5	S	0.713
6	S	0.713
7	S	0.713
8	S	0.713

<r²>	312.573
(<r²>)^1/2	17.680

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

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