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	hartrees
Energy at 0K	-1811.608470
Energy at 298.15K	-1811.613492
HF Energy	-1811.608470
Nuclear repulsion energy	806.999867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	764	730	0.00
2	A₁	588	561	0.00
3	A₁	224	214	0.00
4	A₂	796	759	0.00
5	A₂	280	268	0.00
6	B₁	783	747	0.00
7	B₁	359	343	0.00
8	B₂	1004	959	77.37
9	B₂	573	547	63.28
10	B₂	189	181	0.77
11	E	821	783	7.72
11	E	821	783	7.72
12	E	753	719	91.88
12	E	753	719	91.88
13	E	542	517	5.93
13	E	542	517	5.93
14	E	348	332	18.47
14	E	348	332	18.47

Atom	x (Å)	y (Å)	z (Å)
N1	1.289	1.289	0.000
N2	-1.289	1.289	0.000
N3	-1.289	-1.289	0.000
N4	1.289	-1.289	0.000
S5	0.000	1.310	0.978
S6	0.000	-1.310	0.978
S7	1.310	0.000	-0.978
S8	-1.310	0.000	-0.978

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5775	3.6452	2.5775	1.6179	3.0611	1.6179	3.0611
N2	2.5775		2.5775	3.6452	1.6179	3.0611	3.0611	1.6179
N3	3.6452	2.5775		2.5775	3.0611	1.6179	3.0611	1.6179
N4	2.5775	3.6452	2.5775		3.0611	1.6179	1.6179	3.0611
S5	1.6179	1.6179	3.0611	3.0611		2.6200	2.6938	2.6938
S6	3.0611	3.0611	1.6179	1.6179	2.6200		2.6938	2.6938
S7	1.6179	3.0611	3.0611	1.6179	2.6938	2.6938		2.6200
S8	3.0611	1.6179	1.6179	3.0611	2.6938	2.6938	2.6200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	105.612	N1	S7	N4	105.612
N2	S8	N3	105.612	N3	S6	N4	105.612
S5	N1	S7	112.715	S5	N2	S8	112.715
S6	N3	S8	112.715	S6	N4	S7	112.715

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.278
2	N	-0.278
3	N	-0.278
4	N	-0.278
5	S	0.278
6	S	0.278
7	S	0.278
8	S	0.278

<r²>	309.190
(<r²>)^1/2	17.584

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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