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	hartrees
Energy at 0K	-1811.439722
Energy at 298.15K	-1811.444363
HF Energy	-1811.439722
Nuclear repulsion energy	788.926717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	720	695	0.00
2	A₁	569	549	0.00
3	A₁	198	191	0.00
4	A₂	725	699	0.00
5	A₂	255	246	0.00
6	B₁	724	698	0.00
7	B₁	341	329	0.00
8	B₂	968	933	59.13
9	B₂	565	545	75.96
10	B₂	169	163	0.41
11	E	769	741	0.03
11	E	769	741	0.03
12	E	700	675	113.71
12	E	700	675	113.71
13	E	509	491	5.02
13	E	509	491	5.02
14	E	320	309	27.04
14	E	320	309	27.04

Atom	x (Å)	y (Å)	z (Å)
N1	1.311	1.311	0.000
N2	-1.311	1.311	0.000
N3	-1.311	-1.311	0.000
N4	1.311	-1.311	0.000
S5	0.000	1.366	0.986
S6	0.000	-1.366	0.986
S7	1.366	0.000	-0.986
S8	-1.366	0.000	-0.986

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6221	3.7082	2.6221	1.6412	3.1398	1.6412	3.1398
N2	2.6221		2.6221	3.7082	1.6412	3.1398	3.1398	1.6412
N3	3.7082	2.6221		2.6221	3.1398	1.6412	3.1398	1.6412
N4	2.6221	3.7082	2.6221		3.1398	1.6412	1.6412	3.1398
S5	1.6412	1.6412	3.1398	3.1398		2.7325	2.7603	2.7603
S6	3.1398	3.1398	1.6412	1.6412	2.7325		2.7603	2.7603
S7	1.6412	3.1398	3.1398	1.6412	2.7603	2.7603		2.7325
S8	3.1398	1.6412	1.6412	3.1398	2.7603	2.7603	2.7325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.043	N1	S7	N4	106.043
N2	S8	N3	106.043	N3	S6	N4	106.043
S5	N1	S7	114.482	S5	N2	S8	114.482
S6	N3	S8	114.482	S6	N4	S7	114.482

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

using model chemistry: B3PW91/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	-0.396
2	N	-0.396
3	N	-0.396
4	N	-0.396
5	S	0.396
6	S	0.396
7	S	0.396
8	S	0.396

<r²>	324.508
(<r²>)^1/2	18.014

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

using model chemistry: B3PW91/TZVP

States and conformations

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