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	hartrees
Energy at 0K	-1810.918001
Energy at 298.15K	-1810.922452
HF Energy	-1810.918001
Nuclear repulsion energy	786.405346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	693	685	0.00
2	A₁	553	547	0.00
3	A₁	194	192	0.00
4	A₂	695	687	0.00
5	A₂	242	239	0.00
6	B₁	708	700	0.00
7	B₁	325	322	0.00
8	B₂	915	905	45.24
9	B₂	533	527	51.08
10	B₂	165	163	0.43
11	E	755	747	1.33
11	E	755	747	1.33
12	E	680	672	83.89
12	E	680	672	83.89
13	E	496	490	5.45
13	E	496	490	5.45
14	E	308	304	13.15
14	E	308	304	13.15

Atom	x (Å)	y (Å)	z (Å)
N1	1.320	1.320	0.000
N2	-1.320	1.320	0.000
N3	-1.320	-1.320	0.000
N4	1.320	-1.320	0.000
S5	0.000	1.370	0.984
S6	0.000	-1.370	0.984
S7	1.370	0.000	-0.984
S8	-1.370	0.000	-0.984

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6408	3.7346	2.6408	1.6473	3.1544	1.6473	3.1544
N2	2.6408		2.6408	3.7346	1.6473	3.1544	3.1544	1.6473
N3	3.7346	2.6408		2.6408	3.1544	1.6473	3.1544	1.6473
N4	2.6408	3.7346	2.6408		3.1544	1.6473	1.6473	3.1544
S5	1.6473	1.6473	3.1544	3.1544		2.7405	2.7614	2.7614
S6	3.1544	3.1544	1.6473	1.6473	2.7405		2.7614	2.7614
S7	1.6473	3.1544	3.1544	1.6473	2.7614	2.7614		2.7405
S8	3.1544	1.6473	1.6473	3.1544	2.7614	2.7614	2.7405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.559	N1	S7	N4	106.559
N2	S8	N3	106.559	N3	S6	N4	106.559
S5	N1	S7	113.899	S5	N2	S8	113.899
S6	N3	S8	113.899	S6	N4	S7	113.899

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

using model chemistry: PBEPBEultrafine/aug-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	-0.680
2	N	-0.680
3	N	-0.680
4	N	-0.680
5	S	0.680
6	S	0.680
7	S	0.680
8	S	0.680

<r²>	325.822
(<r²>)^1/2	18.051

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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