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	hartrees
Energy at 0K	-1802.883675
Energy at 298.15K	-1802.887428
HF Energy	-1802.883675
Nuclear repulsion energy	760.435846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	603	603	0.00
2	A₁	564	564	0.00
3	A₁	157	157	0.00
4	A₂	616	616	0.00
5	A₂	178	178	0.00
6	B₁	608	608	0.00
7	B₁	314	314	0.00
8	B₂	893	893	40.53
9	B₂	517	517	75.79
10	B₂	138	138	0.13
11	E	670	670	7.59
11	E	670	670	7.59
12	E	589	589	54.59
12	E	589	589	54.59
13	E	474	474	22.90
13	E	474	474	22.90
14	E	273	273	22.16
14	E	273	273	22.16

Atom	x (Å)	y (Å)	z (Å)
N1	1.353	1.353	0.000
N2	-1.353	1.353	0.000
N3	-1.353	-1.353	0.000
N4	1.353	-1.353	0.000
S5	0.000	1.504	0.954
S6	0.000	-1.504	0.954
S7	1.504	0.000	-0.954
S8	-1.504	0.000	-0.954

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.7057	3.8264	2.7057	1.6622	3.3019	1.6622	3.3019
N2	2.7057		2.7057	3.8264	1.6622	3.3019	3.3019	1.6622
N3	3.8264	2.7057		2.7057	3.3019	1.6622	3.3019	1.6622
N4	2.7057	3.8264	2.7057		3.3019	1.6622	1.6622	3.3019
S5	1.6622	1.6622	3.3019	3.3019		3.0083	2.8574	2.8574
S6	3.3019	3.3019	1.6622	1.6622	3.0083		2.8574	2.8574
S7	1.6622	3.3019	3.3019	1.6622	2.8574	2.8574		3.0083
S8	3.3019	1.6622	1.6622	3.3019	2.8574	2.8574	3.0083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	108.953	N1	S7	N4	108.953
N2	S8	N3	108.953	N3	S6	N4	108.953
S5	N1	S7	118.521	S5	N2	S8	118.521
S6	N3	S8	118.521	S6	N4	S7	118.521

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

using model chemistry: B97D3/3-21G*

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	-0.581
2	N	-0.581
3	N	-0.581
4	N	-0.581
5	S	0.581
6	S	0.581
7	S	0.581
8	S	0.581

<r²>	351.623
(<r²>)^1/2	18.752

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

using model chemistry: B97D3/3-21G*

States and conformations

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