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	hartrees
Energy at 0K	-1811.714862
Energy at 298.15K	-1811.719149
HF Energy	-1811.714862
Nuclear repulsion energy	778.031362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	683	660	0.00
2	A₁	577	557	0.00
3	A₁	176	170	0.00
4	A₂	696	672	0.00
5	A₂	231	224	0.00
6	B₁	682	659	0.00
7	B₁	331	320	0.00
8	B₂	952	920	67.23
9	B₂	555	536	86.55
10	B₂	145	140	0.18
11	E	710	686	4.52
11	E	710	686	4.52
12	E	661	638	109.65
12	E	661	638	109.65
13	E	503	486	10.48
13	E	503	486	10.48
14	E	293	284	34.49
14	E	293	284	34.49

Atom	x (Å)	y (Å)	z (Å)
N1	1.321	1.321	0.000
N2	-1.321	1.321	0.000
N3	-1.321	-1.321	0.000
N4	1.321	-1.321	0.000
S5	0.000	1.433	0.966
S6	0.000	-1.433	0.966
S7	1.433	0.000	-0.966
S8	-1.433	0.000	-0.966

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6429	3.7376	2.6429	1.6409	3.2045	1.6409	3.2045
N2	2.6429		2.6429	3.7376	1.6409	3.2045	3.2045	1.6409
N3	3.7376	2.6429		2.6429	3.2045	1.6409	3.2045	1.6409
N4	2.6429	3.7376	2.6429		3.2045	1.6409	1.6409	3.2045
S5	1.6409	1.6409	3.2045	3.2045		2.8665	2.8007	2.8007
S6	3.2045	3.2045	1.6409	1.6409	2.8665		2.8007	2.8007
S7	1.6409	3.2045	3.2045	1.6409	2.8007	2.8007		2.8665
S8	3.2045	1.6409	1.6409	3.2045	2.8007	2.8007	2.8665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	107.281	N1	S7	N4	107.281
N2	S8	N3	107.281	N3	S6	N4	107.281
S5	N1	S7	117.166	S5	N2	S8	117.166
S6	N3	S8	117.166	S6	N4	S7	117.166

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

using model chemistry: B3LYP/6-311G*

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	-0.587
2	N	-0.587
3	N	-0.587
4	N	-0.587
5	S	0.587
6	S	0.587
7	S	0.587
8	S	0.587

<r²>	335.903
(<r²>)^1/2	18.328

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

using model chemistry: B3LYP/6-311G*

States and conformations

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