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	hartrees
Energy at 0K	-1810.789717
Energy at 298.15K	-1810.793908
HF Energy	-1810.789717
Nuclear repulsion energy	774.536127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	677	673	0.00
2	A₁	543	540	0.00
3	A₁	185	184	0.00
4	A₂	647	643	0.00
5	A₂	226	225	0.00
6	B₁	685	681	0.00
7	B₁	317	315	0.00
8	B₂	887	882	30.64
9	B₂	516	513	48.32
10	B₂	155	154	0.32
11	E	734	729	0.00
11	E	734	729	0.00
12	E	657	653	76.22
12	E	657	653	76.22
13	E	480	477	5.02
13	E	480	477	5.02
14	E	279	277	12.10
14	E	279	277	12.10

Atom	x (Å)	y (Å)	z (Å)
N1	1.342	1.342	0.000
N2	-1.342	1.342	0.000
N3	-1.342	-1.342	0.000
N4	1.342	-1.342	0.000
S5	0.000	1.390	0.998
S6	0.000	-1.390	0.998
S7	1.390	0.000	-0.998
S8	-1.390	0.000	-0.998

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6845	3.7965	2.6845	1.6734	3.2035	1.6734	3.2035
N2	2.6845		2.6845	3.7965	1.6734	3.2035	3.2035	1.6734
N3	3.7965	2.6845		2.6845	3.2035	1.6734	3.2035	1.6734
N4	2.6845	3.7965	2.6845		3.2035	1.6734	1.6734	3.2035
S5	1.6734	1.6734	3.2035	3.2035		2.7797	2.8015	2.8015
S6	3.2035	3.2035	1.6734	1.6734	2.7797		2.8015	2.8015
S7	1.6734	3.2035	3.2035	1.6734	2.8015	2.8015		2.7797
S8	3.2035	1.6734	1.6734	3.2035	2.8015	2.8015	2.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.667	N1	S7	N4	106.667
N2	S8	N3	106.667	N3	S6	N4	106.667
S5	N1	S7	113.667	S5	N2	S8	113.667
S6	N3	S8	113.667	S6	N4	S7	113.667

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	-0.767
2	N	-0.767
3	N	-0.767
4	N	-0.767
5	S	0.767
6	S	0.767
7	S	0.767
8	S	0.767

<r²>	334.661
(<r²>)^1/2	18.294

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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