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	hartrees
Energy at 0K	-1811.501456
Energy at 298.15K	-1811.506470
HF Energy	-1811.501456
Nuclear repulsion energy	799.719894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	764	723	0.00
2	A₁	591	559	0.00
3	A₁	233	220	0.00
4	A₂	766	725	0.00
5	A₂	279	264	0.00
6	B₁	761	720	0.00
7	B₁	361	342	0.00
8	B₂	1014	960	78.65
9	B₂	589	557	83.94
10	B₂	206	195	0.75
11	E	779	737	0.00
11	E	779	737	0.00
12	E	740	701	141.78
12	E	740	701	141.78
13	E	540	511	2.84
13	E	540	511	2.84
14	E	339	321	39.15
14	E	339	321	39.15

Atom	x (Å)	y (Å)	z (Å)
N1	1.295	1.295	0.000
N2	-1.295	1.295	0.000
N3	-1.295	-1.295	0.000
N4	1.295	-1.295	0.000
S5	0.000	1.321	0.994
S6	0.000	-1.321	0.994
S7	1.321	0.000	-0.994
S8	-1.321	0.000	-0.994

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5891	3.6616	2.5891	1.6324	3.0828	1.6324	3.0828
N2	2.5891		2.5891	3.6616	1.6324	3.0828	3.0828	1.6324
N3	3.6616	2.5891		2.5891	3.0828	1.6324	3.0828	1.6324
N4	2.5891	3.6616	2.5891		3.0828	1.6324	1.6324	3.0828
S5	1.6324	1.6324	3.0828	3.0828		2.6414	2.7278	2.7278
S6	3.0828	3.0828	1.6324	1.6324	2.6414		2.7278	2.7278
S7	1.6324	3.0828	3.0828	1.6324	2.7278	2.7278		2.6414
S8	3.0828	1.6324	1.6324	3.0828	2.7278	2.7278	2.6414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	104.945	N1	S7	N4	104.945
N2	S8	N3	104.945	N3	S6	N4	104.945
S5	N1	S7	113.341	S5	N2	S8	113.341
S6	N3	S8	113.341	S6	N4	S7	113.341

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

using model chemistry: M06-2X/TZVP

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	-0.454
2	N	-0.454
3	N	-0.454
4	N	-0.454
5	S	0.454
6	S	0.454
7	S	0.454
8	S	0.454

<r²>	315.757
(<r²>)^1/2	17.770

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

using model chemistry: M06-2X/TZVP

States and conformations

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