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	hartrees
Energy at 0K	-1807.803793
Energy at 298.15K	-1807.809672
HF Energy	-1807.803793
Nuclear repulsion energy	832.774924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	857	777	0.00
2	A₁	653	592	0.00
3	A₁	293	265	0.00
4	A₂	886	803	0.00
5	A₂	350	317	0.00
6	B₁	869	787	0.00
7	B₁	421	381	0.00
8	B₂	1098	995	174.34
9	B₂	656	594	94.18
10	B₂	242	219	1.86
11	E	878	795	92.82
11	E	878	795	92.82
12	E	823	746	92.82
12	E	823	746	92.83
13	E	641	581	0.55
13	E	641	581	0.55
14	E	427	387	46.24
14	E	427	387	46.24

Atom	x (Å)	y (Å)	z (Å)
N1	1.229	1.229	0.000
N2	-1.229	1.229	0.000
N3	-1.229	-1.229	0.000
N4	1.229	-1.229	0.000
S5	0.000	1.134	1.002
S6	0.000	-1.134	1.002
S7	1.134	0.000	-1.002
S8	-1.134	0.000	-1.002

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.4581	3.4763	2.4581	1.5883	2.8459	1.5883	2.8459
N2	2.4581		2.4581	3.4763	1.5883	2.8459	2.8459	1.5883
N3	3.4763	2.4581		2.4581	2.8459	1.5883	2.8459	1.5883
N4	2.4581	3.4763	2.4581		2.8459	1.5883	1.5883	2.8459
S5	1.5883	1.5883	2.8459	2.8459		2.2684	2.5663	2.5663
S6	2.8459	2.8459	1.5883	1.5883	2.2684		2.5663	2.5663
S7	1.5883	2.8459	2.8459	1.5883	2.5663	2.5663		2.2684
S8	2.8459	1.5883	1.5883	2.8459	2.5663	2.5663	2.2684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	101.394	N1	S7	N4	101.394
N2	S8	N3	101.394	N3	S6	N4	101.394
S5	N1	S7	107.773	S5	N2	S8	107.773
S6	N3	S8	107.773	S6	N4	S7	107.773

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

using model chemistry: HF/Def2TZVPP

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	-0.526
2	N	-0.526
3	N	-0.526
4	N	-0.526
5	S	0.526
6	S	0.526
7	S	0.526
8	S	0.526

<r²>	291.904
(<r²>)^1/2	17.085

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

using model chemistry: HF/Def2TZVPP

States and conformations

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