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	hartrees
Energy at 0K	-1802.046435
Energy at 298.15K	-1802.050268
HF Energy	-1802.046435
Nuclear repulsion energy	760.936545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	612	583	0.00
2	A₁	561	535	0.00
3	A₁	157	150	0.00
4	A₂	636	606	0.00
5	A₂	187	178	0.00
6	B₁	620	591	0.00
7	B₁	313	298	0.00
8	B₂	900	858	38.21
9	B₂	518	494	75.45
10	B₂	139	133	0.18
11	E	691	659	5.42
11	E	691	659	5.42
12	E	601	573	55.40
12	E	601	573	55.40
13	E	470	449	22.31
13	E	470	449	22.31
14	E	278	265	20.58
14	E	278	265	20.58

Atom	x (Å)	y (Å)	z (Å)
N1	1.354	1.354	0.000
N2	-1.354	1.354	0.000
N3	-1.354	-1.354	0.000
N4	1.354	-1.354	0.000
S5	0.000	1.497	0.957
S6	0.000	-1.497	0.957
S7	1.497	0.000	-0.957
S8	-1.497	0.000	-0.957

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.7073	3.8286	2.7073	1.6638	3.2979	1.6638	3.2979
N2	2.7073		2.7073	3.8286	1.6638	3.2979	3.2979	1.6638
N3	3.8286	2.7073		2.7073	3.2979	1.6638	3.2979	1.6638
N4	2.7073	3.8286	2.7073		3.2979	1.6638	1.6638	3.2979
S5	1.6638	1.6638	3.2979	3.2979		2.9948	2.8540	2.8540
S6	3.2979	3.2979	1.6638	1.6638	2.9948		2.8540	2.8540
S7	1.6638	3.2979	3.2979	1.6638	2.8540	2.8540		2.9948
S8	3.2979	1.6638	1.6638	3.2979	2.8540	2.8540	2.9948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	108.893	N1	S7	N4	108.893
N2	S8	N3	108.893	N3	S6	N4	108.893
S5	N1	S7	118.116	S5	N2	S8	118.116
S6	N3	S8	118.116	S6	N4	S7	118.116

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

using model chemistry: PBEPBE/3-21G*

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	-0.567
2	N	-0.567
3	N	-0.567
4	N	-0.567
5	S	0.567
6	S	0.567
7	S	0.567
8	S	0.567

<r²>	351.036
(<r²>)^1/2	18.736

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

using model chemistry: PBEPBE/3-21G*

States and conformations

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