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	hartrees
Energy at 0K	-1810.909200
Energy at 298.15K	-1810.913638
HF Energy	-1810.909200
Nuclear repulsion energy	786.273179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	693	689	0.00
2	A₁	554	550	0.00
3	A₁	192	190	0.00
4	A₂	692	687	0.00
5	A₂	240	238	0.00
6	B₁	710	705	0.00
7	B₁	326	324	0.00
8	B₂	915	909	49.17
9	B₂	534	530	51.80
10	B₂	164	162	0.30
11	E	753	748	0.78
11	E	753	748	0.78
12	E	681	676	80.60
12	E	681	676	80.60
13	E	496	492	5.99
13	E	496	492	5.99
14	E	306	304	14.51
14	E	306	304	14.51

Atom	x (Å)	y (Å)	z (Å)
N1	1.321	1.321	0.000
N2	-1.321	1.321	0.000
N3	-1.321	-1.321	0.000
N4	1.321	-1.321	0.000
S5	0.000	1.372	0.982
S6	0.000	-1.372	0.982
S7	1.372	0.000	-0.982
S8	-1.372	0.000	-0.982

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6422	3.7367	2.6422	1.6469	3.1563	1.6469	3.1563
N2	2.6422		2.6422	3.7367	1.6469	3.1563	3.1563	1.6469
N3	3.7367	2.6422		2.6422	3.1563	1.6469	3.1563	1.6469
N4	2.6422	3.7367	2.6422		3.1563	1.6469	1.6469	3.1563
S5	1.6469	1.6469	3.1563	3.1563		2.7440	2.7608	2.7608
S6	3.1563	3.1563	1.6469	1.6469	2.7440		2.7608	2.7608
S7	1.6469	3.1563	3.1563	1.6469	2.7608	2.7608		2.7440
S8	3.1563	1.6469	1.6469	3.1563	2.7608	2.7608	2.7440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.681	N1	S7	N4	106.681
N2	S8	N3	106.681	N3	S6	N4	106.681
S5	N1	S7	113.897	S5	N2	S8	113.897
S6	N3	S8	113.897	S6	N4	S7	113.897

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

using model chemistry: PBEPBE/cc-pVTZ

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	-0.344
2	N	-0.344
3	N	-0.344
4	N	-0.344
5	S	0.344
6	S	0.344
7	S	0.344
8	S	0.344

<r²>	325.636
(<r²>)^1/2	18.045

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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