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	hartrees
Energy at 0K	-1806.402939
Energy at 298.15K	-1806.407528
HF Energy	-1806.402939
Nuclear repulsion energy	789.787047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	716	708	0.00
2	A₁	559	552	0.00
3	A₁	210	208	0.00
4	A₂	718	710	0.00
5	A₂	246	243	0.00
6	B₁	722	714	0.00
7	B₁	327	324	0.00
8	B₂	937	926	37.93
9	B₂	535	529	53.05
10	B₂	181	179	0.32
11	E	793	785	0.81
11	E	793	785	0.81
12	E	697	689	83.75
12	E	697	689	83.75
13	E	498	492	5.85
13	E	498	492	5.85
14	E	306	302	12.52
14	E	306	302	12.52

Atom	x (Å)	y (Å)	z (Å)
N1	1.313	1.313	0.000
N2	-1.313	1.313	0.000
N3	-1.313	-1.313	0.000
N4	1.313	-1.313	0.000
S5	0.000	1.344	0.999
S6	0.000	-1.344	0.999
S7	1.344	0.000	-0.999
S8	-1.344	0.000	-0.999

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6261	3.7139	2.6261	1.6500	3.1274	1.6500	3.1274
N2	2.6261		2.6261	3.7139	1.6500	3.1274	3.1274	1.6500
N3	3.7139	2.6261		2.6261	3.1274	1.6500	3.1274	1.6500
N4	2.6261	3.7139	2.6261		3.1274	1.6500	1.6500	3.1274
S5	1.6500	1.6500	3.1274	3.1274		2.6876	2.7570	2.7570
S6	3.1274	3.1274	1.6500	1.6500	2.6876		2.7570	2.7570
S7	1.6500	3.1274	3.1274	1.6500	2.7570	2.7570		2.6876
S8	3.1274	1.6500	1.6500	3.1274	2.7570	2.7570	2.6876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	105.463	N1	S7	N4	105.463
N2	S8	N3	105.463	N3	S6	N4	105.463
S5	N1	S7	113.328	S5	N2	S8	113.328
S6	N3	S8	113.328	S6	N4	S7	113.328

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

using model chemistry: LSDA/aug-cc-pVDZ

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	-0.643
2	N	-0.643
3	N	-0.643
4	N	-0.643
5	S	0.643
6	S	0.643
7	S	0.643
8	S	0.643

<r²>	322.222
(<r²>)^1/2	17.951

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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