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	hartrees
Energy at 0K	-1810.949895
Energy at 298.15K	-1810.954094
HF Energy	-1810.460045
Nuclear repulsion energy	769.922615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	668	638	0.00
2	A₁	549	524	0.00
3	A₁	166	158	0.00
4	A₂	668	638	0.00
5	A₂	212	202	0.00
6	B₁	672	641	0.00
7	B₁	314	300	0.00
8	B₂	930	888	41.35
9	B₂	538	513	71.71
10	B₂	148	141	0.04
11	E	785	749	0.46
11	E	785	749	0.46
12	E	648	619	77.64
12	E	648	619	77.64
13	E	480	458	10.47
13	E	480	458	10.47
14	E	290	277	16.64
14	E	290	277	16.64

Atom	x (Å)	y (Å)	z (Å)
N1	1.335	1.335	0.000
N2	-1.335	1.335	0.000
N3	-1.335	-1.335	0.000
N4	1.335	-1.335	0.000
S5	0.000	1.452	0.974
S6	0.000	-1.452	0.974
S7	1.452	0.000	-0.974
S8	-1.452	0.000	-0.974

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6708	3.7771	2.6708	1.6567	3.2402	1.6567	3.2402
N2	2.6708		2.6708	3.7771	1.6567	3.2402	3.2402	1.6567
N3	3.7771	2.6708		2.6708	3.2402	1.6567	3.2402	1.6567
N4	2.6708	3.7771	2.6708		3.2402	1.6567	1.6567	3.2402
S5	1.6567	1.6567	3.2402	3.2402		2.9033	2.8295	2.8295
S6	3.2402	3.2402	1.6567	1.6567	2.9033		2.8295	2.8295
S7	1.6567	3.2402	3.2402	1.6567	2.8295	2.8295		2.9033
S8	3.2402	1.6567	1.6567	3.2402	2.8295	2.8295	2.9033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	107.426	N1	S7	N4	107.426
N2	S8	N3	107.426	N3	S6	N4	107.426
S5	N1	S7	117.286	S5	N2	S8	117.286
S6	N3	S8	117.286	S6	N4	S7	117.286

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

using model chemistry: B2PLYP/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	-0.392
2	N	-0.392
3	N	-0.392
4	N	-0.392
5	S	0.392
6	S	0.392
7	S	0.392
8	S	0.392

<r²>	342.550
(<r²>)^1/2	18.508

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

using model chemistry: B2PLYP/TZVP

States and conformations

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