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	hartrees
Energy at 0K	-1791.221062
Energy at 298.15K	-1791.224696
HF Energy	-1791.221062
Nuclear repulsion energy	758.534575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	752	664	0.00
2	A₁	544	480	0.00
3	A₁	255	225	0.00
4	A₂	612	541	0.00
5	A₂	212	188	0.00
6	B₁	720	635	0.00
7	B₁	331	292	0.00
8	B₂	952	840	1.71
9	B₂	482	426	46.10
10	B₂	236	209	0.16
11	E	812	717	8.87
11	E	812	717	8.87
12	E	683	603	10.43
12	E	683	603	10.43
13	E	470	415	1.82
13	E	470	415	1.82
14	E	200	176	21.71
14	E	200	176	21.71

Atom	x (Å)	y (Å)	z (Å)
N1	1.374	1.374	0.000
N2	-1.374	1.374	0.000
N3	-1.374	-1.374	0.000
N4	1.374	-1.374	0.000
S5	0.000	1.342	1.079
S6	0.000	-1.342	1.079
S7	1.342	0.000	-1.079
S8	-1.342	0.000	-1.079

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.7485	3.8869	2.7485	1.7478	3.2302	1.7478	3.2302
N2	2.7485		2.7485	3.8869	1.7478	3.2302	3.2302	1.7478
N3	3.8869	2.7485		2.7485	3.2302	1.7478	3.2302	1.7478
N4	2.7485	3.8869	2.7485		3.2302	1.7478	1.7478	3.2302
S5	1.7478	1.7478	3.2302	3.2302		2.6850	2.8750	2.8750
S6	3.2302	3.2302	1.7478	1.7478	2.6850		2.8750	2.8750
S7	1.7478	3.2302	3.2302	1.7478	2.8750	2.8750		2.6850
S8	3.2302	1.7478	1.7478	3.2302	2.8750	2.8750	2.6850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	103.677	N1	S7	N4	103.677
N2	S8	N3	103.677	N3	S6	N4	103.677
S5	N1	S7	110.663	S5	N2	S8	110.663
S6	N3	S8	110.663	S6	N4	S7	110.663

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

using model chemistry: B1B95/STO-3G

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	-0.376
2	N	-0.376
3	N	-0.376
4	N	-0.376
5	S	0.376
6	S	0.376
7	S	0.376
8	S	0.376

<r²>	337.961
(<r²>)^1/2	18.384

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

using model chemistry: B1B95/STO-3G

States and conformations

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