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	hartrees
Energy at 0K	-1811.305428
Energy at 298.15K	-1811.308038
HF Energy	-1811.305428
Nuclear repulsion energy	722.235380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	565	544	0.00
2	A₁	508	488	0.00
3	A₁	150	144	0.00
4	A₂	446	429	0.00
5	A₂	109	105	0.00
6	B₁	481	463	0.00
7	B₁	283	272	0.00
8	B₂	790	759	12.66
9	B₂	456	438	65.42
10	B₂	133	128	0.58
11	E	595	572	18.97
11	E	595	572	18.97
12	E	463	445	21.07
12	E	463	445	21.07
13	E	428	411	10.86
13	E	428	411	10.86
14	E	178	171	32.98
14	E	178	171	32.98

Atom	x (Å)	y (Å)	z (Å)
N1	1.424	1.424	0.000
N2	-1.424	1.424	0.000
N3	-1.424	-1.424	0.000
N4	1.424	-1.424	0.000
S5	0.000	1.547	1.038
S6	0.000	-1.547	1.038
S7	1.547	0.000	-1.038
S8	-1.547	0.000	-1.038

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.8482	4.0279	2.8482	1.7665	3.4541	1.7665	3.4541
N2	2.8482		2.8482	4.0279	1.7665	3.4541	3.4541	1.7665
N3	4.0279	2.8482		2.8482	3.4541	1.7665	3.4541	1.7665
N4	2.8482	4.0279	2.8482		3.4541	1.7665	1.7665	3.4541
S5	1.7665	1.7665	3.4541	3.4541		3.0934	3.0157	3.0157
S6	3.4541	3.4541	1.7665	1.7665	3.0934		3.0157	3.0157
S7	1.7665	3.4541	3.4541	1.7665	3.0157	3.0157		3.0934
S8	3.4541	1.7665	1.7665	3.4541	3.0157	3.0157	3.0934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	107.444	N1	S7	N4	107.444
N2	S8	N3	107.444	N3	S6	N4	107.444
S5	N1	S7	117.205	S5	N2	S8	117.205
S6	N3	S8	117.205	S6	N4	S7	117.205

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

using model chemistry: B3LYP/SDD

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	-0.620
2	N	-0.620
3	N	-0.620
4	N	-0.620
5	S	0.620
6	S	0.620
7	S	0.620
8	S	0.620

<r²>	384.668
(<r²>)^1/2	19.613

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

using model chemistry: B3LYP/SDD

States and conformations

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