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	hartrees
Energy at 0K	-1811.614984
Energy at 298.15K	-1811.619660
HF Energy	-1811.614984
Nuclear repulsion energy	789.161586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	734	703	0.00
2	A₁	577	553	0.00
3	A₁	203	194	0.00
4	A₂	736	706	0.00
5	A₂	254	244	0.00
6	B₁	743	712	0.00
7	B₁	345	331	0.00
8	B₂	980	939	54.41
9	B₂	554	531	71.92
10	B₂	173	165	0.13
11	E	781	749	0.00
11	E	781	749	0.00
12	E	717	687	100.78
12	E	717	687	100.78
13	E	518	496	5.72
13	E	518	496	5.72
14	E	307	294	25.56
14	E	307	294	25.56

Atom	x (Å)	y (Å)	z (Å)
N1	1.314	1.314	0.000
N2	-1.314	1.314	0.000
N3	-1.314	-1.314	0.000
N4	1.314	-1.314	0.000
S5	0.000	1.360	0.987
S6	0.000	-1.360	0.987
S7	1.360	0.000	-0.987
S8	-1.360	0.000	-0.987

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6285	3.7172	2.6285	1.6440	3.1387	1.6440	3.1387
N2	2.6285		2.6285	3.7172	1.6440	3.1387	3.1387	1.6440
N3	3.7172	2.6285		2.6285	3.1387	1.6440	3.1387	1.6440
N4	2.6285	3.7172	2.6285		3.1387	1.6440	1.6440	3.1387
S5	1.6440	1.6440	3.1387	3.1387		2.7196	2.7554	2.7554
S6	3.1387	3.1387	1.6440	1.6440	2.7196		2.7554	2.7554
S7	1.6440	3.1387	3.1387	1.6440	2.7554	2.7554		2.7196
S8	3.1387	1.6440	1.6440	3.1387	2.7554	2.7554	2.7196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.145	N1	S7	N4	106.145
N2	S8	N3	106.145	N3	S6	N4	106.145
S5	N1	S7	113.860	S5	N2	S8	113.860
S6	N3	S8	113.860	S6	N4	S7	113.860

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

using model chemistry: mPW1PW91/cc-pVDZ

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	-0.479
2	N	-0.479
3	N	-0.479
4	N	-0.479
5	S	0.479
6	S	0.479
7	S	0.479
8	S	0.479

<r²>	323.304
(<r²>)^1/2	17.981

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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