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	hartrees
Energy at 0K	-1808.936776
Energy at 298.15K
HF Energy	-1807.794216
Nuclear repulsion energy	827.320921

Atom	x (Å)	y (Å)	z (Å)
N1	1.256	1.256	0.000
N2	-1.256	1.256	0.000
N3	-1.256	-1.256	0.000
N4	1.256	-1.256	0.000
S5	0.000	1.251	0.977
S6	0.000	-1.251	0.977
S7	1.251	0.000	-0.977
S8	-1.251	0.000	-0.977

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5125	3.5533	2.5125	1.5913	2.9699	1.5913	2.9699
N2	2.5125		2.5125	3.5533	1.5913	2.9699	2.9699	1.5913
N3	3.5533	2.5125		2.5125	2.9699	1.5913	2.9699	1.5913
N4	2.5125	3.5533	2.5125		2.9699	1.5913	1.5913	2.9699
S5	1.5913	1.5913	2.9699	2.9699		2.5026	2.6359	2.6359
S6	2.9699	2.9699	1.5913	1.5913	2.5026		2.6359	2.6359
S7	1.5913	2.9699	2.9699	1.5913	2.6359	2.6359		2.5026
S8	2.9699	1.5913	1.5913	2.9699	2.6359	2.6359	2.5026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	104.267	N1	S7	N4	104.267
N2	S8	N3	104.267	N3	S6	N4	104.267
S5	N1	S7	111.828	S5	N2	S8	111.828
S6	N3	S8	111.828	S6	N4	S7	111.828

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

using model chemistry: CID/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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All results from a given calculation for S4N4 (Tetrasulfur tetranitride)

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

States and conformations

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