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	hartrees
Energy at 0K	-1809.339784
Energy at 298.15K
HF Energy	-1807.788679
Nuclear repulsion energy	811.786409

Atom	x (Å)	y (Å)	z (Å)
N1	1.278	1.278	0.000
N2	-1.278	1.278	0.000
N3	-1.278	-1.278	0.000
N4	1.278	-1.278	0.000
S5	0.000	1.301	0.976
S6	0.000	-1.301	0.976
S7	1.301	0.000	-0.976
S8	-1.301	0.000	-0.976

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5557	3.6144	2.5557	1.6084	3.0394	1.6084	3.0394
N2	2.5557		2.5557	3.6144	1.6084	3.0394	3.0394	1.6084
N3	3.6144	2.5557		2.5557	3.0394	1.6084	3.0394	1.6084
N4	2.5557	3.6144	2.5557		3.0394	1.6084	1.6084	3.0394
S5	1.6084	1.6084	3.0394	3.0394		2.6024	2.6832	2.6832
S6	3.0394	3.0394	1.6084	1.6084	2.6024		2.6832	2.6832
S7	1.6084	3.0394	3.0394	1.6084	2.6832	2.6832		2.6024
S8	3.0394	1.6084	1.6084	3.0394	2.6832	2.6832	2.6024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	105.218	N1	S7	N4	105.218
N2	S8	N3	105.218	N3	S6	N4	105.218
S5	N1	S7	113.054	S5	N2	S8	113.054
S6	N3	S8	113.054	S6	N4	S7	113.054

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

using model chemistry: MP3/6-311+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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HF vs MP2 Bad vib. Calc. vs exp. 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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: MP3/6-311+G(3df,2p)

States and conformations

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