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	hartrees
Energy at 0K	-1802.961995
Energy at 298.15K	-1802.966019
HF Energy	-1802.961995
Nuclear repulsion energy	766.573608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	633	609	0.00
2	A₁	582	560	0.00
3	A₁	165	159	0.00
4	A₂	679	653	0.00
5	A₂	205	198	0.00
6	B₁	630	606	0.00
7	B₁	327	314	0.00
8	B₂	947	911	55.08
9	B₂	537	517	88.30
10	B₂	143	138	0.08
11	E	675	649	10.61
11	E	675	649	10.61
12	E	617	593	73.86
12	E	617	593	73.86
13	E	492	473	23.13
13	E	492	473	23.13
14	E	284	273	35.15
14	E	284	273	35.15

Atom	x (Å)	y (Å)	z (Å)
N1	1.338	1.338	0.000
N2	-1.338	1.338	0.000
N3	-1.338	-1.338	0.000
N4	1.338	-1.338	0.000
S5	0.000	1.492	0.950
S6	0.000	-1.492	0.950
S7	1.492	0.000	-0.950
S8	-1.492	0.000	-0.950

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6758	3.7842	2.6758	1.6484	3.2718	1.6484	3.2718
N2	2.6758		2.6758	3.7842	1.6484	3.2718	3.2718	1.6484
N3	3.7842	2.6758		2.6758	3.2718	1.6484	3.2718	1.6484
N4	2.6758	3.7842	2.6758		3.2718	1.6484	1.6484	3.2718
S5	1.6484	1.6484	3.2718	3.2718		2.9850	2.8404	2.8404
S6	3.2718	3.2718	1.6484	1.6484	2.9850		2.8404	2.8404
S7	1.6484	3.2718	3.2718	1.6484	2.8404	2.8404		2.9850
S8	3.2718	1.6484	1.6484	3.2718	2.8404	2.8404	2.9850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	108.518	N1	S7	N4	108.518
N2	S8	N3	108.518	N3	S6	N4	108.518
S5	N1	S7	118.989	S5	N2	S8	118.989
S6	N3	S8	118.989	S6	N4	S7	118.989

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

using model chemistry: B3LYP/3-21G*

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	-0.607
2	N	-0.607
3	N	-0.607
4	N	-0.607
5	S	0.607
6	S	0.607
7	S	0.607
8	S	0.607

<r²>	346.973
(<r²>)^1/2	18.627

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

using model chemistry: B3LYP/3-21G*

States and conformations

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