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	hartrees
Energy at 0K	-1811.863084
Energy at 298.15K	-1811.867834
HF Energy	-1811.863084
Nuclear repulsion energy	798.403922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	729	729	0.00
2	A₁	572	572	0.00
3	A₁	210	210	0.00
4	A₂	754	754	0.00
5	A₂	259	259	0.00
6	B₁	746	746	0.00
7	B₁	338	338	0.00
8	B₂	966	966	65.05
9	B₂	556	556	56.99
10	B₂	183	183	0.55
11	E	783	783	5.12
11	E	783	783	5.12
12	E	717	717	93.01
12	E	717	717	93.01
13	E	517	517	5.70
13	E	517	517	5.70
14	E	325	325	16.33
14	E	325	325	16.33

Atom	x (Å)	y (Å)	z (Å)
N1	1.298	1.298	0.000
N2	-1.298	1.298	0.000
N3	-1.298	-1.298	0.000
N4	1.298	-1.298	0.000
S5	0.000	1.347	0.974
S6	0.000	-1.347	0.974
S7	1.347	0.000	-0.974
S8	-1.347	0.000	-0.974

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5957	3.6709	2.5957	1.6234	3.1030	1.6234	3.1030
N2	2.5957		2.5957	3.6709	1.6234	3.1030	3.1030	1.6234
N3	3.6709	2.5957		2.5957	3.1030	1.6234	3.1030	1.6234
N4	2.5957	3.6709	2.5957		3.1030	1.6234	1.6234	3.1030
S5	1.6234	1.6234	3.1030	3.1030		2.6940	2.7246	2.7246
S6	3.1030	3.1030	1.6234	1.6234	2.6940		2.7246	2.7246
S7	1.6234	3.1030	3.1030	1.6234	2.7246	2.7246		2.6940
S8	3.1030	1.6234	1.6234	3.1030	2.7246	2.7246	2.6940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.155	N1	S7	N4	106.155
N2	S8	N3	106.155	N3	S6	N4	106.155
S5	N1	S7	114.102	S5	N2	S8	114.102
S6	N3	S8	114.102	S6	N4	S7	114.102

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

using model chemistry: TPSSh/6-311+G(3df,2p)

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	-0.223
2	N	-0.223
3	N	-0.223
4	N	-0.223
5	S	0.223
6	S	0.223
7	S	0.223
8	S	0.223

<r²>	316.999
(<r²>)^1/2	17.804

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

using model chemistry: TPSSh/6-311+G(3df,2p)

States and conformations

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