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	hartrees
Energy at 0K	-1791.065833
Energy at 298.15K	-1791.069686
HF Energy	-1791.065833
Nuclear repulsion energy	767.234303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	777	777	0.00
2	A₁	559	559	0.00
3	A₁	274	274	0.00
4	A₂	672	672	0.00
5	A₂	228	228	0.00
6	B₁	744	744	0.00
7	B₁	344	344	0.00
8	B₂	979	979	2.21
9	B₂	481	481	51.13
10	B₂	250	250	1.24
11	E	829	829	13.19
11	E	829	829	13.19
12	E	698	698	14.15
12	E	698	698	14.15
13	E	490	490	1.13
13	E	490	490	1.13
14	E	204	204	31.04
14	E	204	204	31.04

Atom	x (Å)	y (Å)	z (Å)
N1	1.359	1.359	0.000
N2	-1.359	1.359	0.000
N3	-1.359	-1.359	0.000
N4	1.359	-1.359	0.000
S5	0.000	1.309	1.083
S6	0.000	-1.309	1.083
S7	1.309	0.000	-1.083
S8	-1.309	0.000	-1.083

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.7173	3.8428	2.7173	1.7379	3.1830	1.7379	3.1830
N2	2.7173		2.7173	3.8428	1.7379	3.1830	3.1830	1.7379
N3	3.8428	2.7173		2.7173	3.1830	1.7379	3.1830	1.7379
N4	2.7173	3.8428	2.7173		3.1830	1.7379	1.7379	3.1830
S5	1.7379	1.7379	3.1830	3.1830		2.6171	2.8482	2.8482
S6	3.1830	3.1830	1.7379	1.7379	2.6171		2.8482	2.8482
S7	1.7379	3.1830	3.1830	1.7379	2.8482	2.8482		2.6171
S8	3.1830	1.7379	1.7379	3.1830	2.8482	2.8482	2.6171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	102.846	N1	S7	N4	102.846
N2	S8	N3	102.846	N3	S6	N4	102.846
S5	N1	S7	110.055	S5	N2	S8	110.055
S6	N3	S8	110.055	S6	N4	S7	110.055

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

using model chemistry: M06-2X/STO-3G

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	-0.401
2	N	-0.401
3	N	-0.401
4	N	-0.401
5	S	0.401
6	S	0.401
7	S	0.401
8	S	0.401

<r²>	330.502
(<r²>)^1/2	18.180

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

using model chemistry: M06-2X/STO-3G

States and conformations

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