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	hartrees
Energy at 0K	-1811.355986
Energy at 298.15K
HF Energy	-1810.576098
Nuclear repulsion energy	789.012705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	706	706	0.00
2	A₁	569	569	0.00
3	A₁	182	182	0.00
4	A₂	752	752	0.00
5	A₂	242	242	0.00
6	B₁	722	722	0.00
7	B₁	328	328	0.00
8	B₂	970	970	58.65
9	B₂	550	550	59.51
10	B₂	158	158	0.44
11	E	814	814	4.12
11	E	814	814	4.12
12	E	697	697	83.00
12	E	697	697	83.00
13	E	509	509	9.69
13	E	509	509	9.69
14	E	317	317	13.04
14	E	317	317	13.04

Atom	x (Å)	y (Å)	z (Å)
N1	1.305	1.305	0.000
N2	-1.305	1.305	0.000
N3	-1.305	-1.305	0.000
N4	1.305	-1.305	0.000
S5	0.000	1.399	0.963
S6	0.000	-1.399	0.963
S7	1.399	0.000	-0.963
S8	-1.399	0.000	-0.963

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6099	3.6909	2.6099	1.6247	3.1533	1.6247	3.1533
N2	2.6099		2.6099	3.6909	1.6247	3.1533	3.1533	1.6247
N3	3.6909	2.6099		2.6099	3.1533	1.6247	3.1533	1.6247
N4	2.6099	3.6909	2.6099		3.1533	1.6247	1.6247	3.1533
S5	1.6247	1.6247	3.1533	3.1533		2.7984	2.7618	2.7618
S6	3.1533	3.1533	1.6247	1.6247	2.7984		2.7618	2.7618
S7	1.6247	3.1533	3.1533	1.6247	2.7618	2.7618		2.7984
S8	3.1533	1.6247	1.6247	3.1533	2.7618	2.7618	2.7984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.869	N1	S7	N4	106.869
N2	S8	N3	106.869	N3	S6	N4	106.869
S5	N1	S7	116.408	S5	N2	S8	116.408
S6	N3	S8	116.408	S6	N4	S7	116.408

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

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

States and conformations

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