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	hartrees
Energy at 0K	-1811.429094
Energy at 298.15K	-1811.433658
HF Energy	-1811.429094
Nuclear repulsion energy	787.676783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	712	686	0.00
2	A₁	580	559	0.00
3	A₁	192	185	0.00
4	A₂	735	708	0.00
5	A₂	247	238	0.00
6	B₁	715	689	0.00
7	B₁	339	326	0.00
8	B₂	978	942	70.93
9	B₂	568	547	88.96
10	B₂	164	158	0.28
11	E	759	731	0.23
11	E	759	731	0.23
12	E	693	667	115.35
12	E	693	667	115.35
13	E	512	493	9.46
13	E	512	493	9.46
14	E	312	300	30.94
14	E	312	300	30.94

Atom	x (Å)	y (Å)	z (Å)
N1	1.308	1.308	0.000
N2	-1.308	1.308	0.000
N3	-1.308	-1.308	0.000
N4	1.308	-1.308	0.000
S5	0.000	1.391	0.973
S6	0.000	-1.391	0.973
S7	1.391	0.000	-0.973
S8	-1.391	0.000	-0.973

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6162	3.6998	2.6162	1.6325	3.1533	1.6325	3.1533
N2	2.6162		2.6162	3.6998	1.6325	3.1533	3.1533	1.6325
N3	3.6998	2.6162		2.6162	3.1533	1.6325	3.1533	1.6325
N4	2.6162	3.6998	2.6162		3.1533	1.6325	1.6325	3.1533
S5	1.6325	1.6325	3.1533	3.1533		2.7821	2.7673	2.7673
S6	3.1533	3.1533	1.6325	1.6325	2.7821		2.7673	2.7673
S7	1.6325	3.1533	3.1533	1.6325	2.7673	2.7673		2.7821
S8	3.1533	1.6325	1.6325	3.1533	2.7673	2.7673	2.7821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.510	N1	S7	N4	106.510
N2	S8	N3	106.510	N3	S6	N4	106.510
S5	N1	S7	115.898	S5	N2	S8	115.898
S6	N3	S8	115.898	S6	N4	S7	115.898

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

using model chemistry: B3PW91/6-311G*

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	-0.588
2	N	-0.588
3	N	-0.588
4	N	-0.588
5	S	0.588
6	S	0.588
7	S	0.588
8	S	0.588

<r²>	326.836
(<r²>)^1/2	18.079

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

using model chemistry: B3PW91/6-311G*

States and conformations

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