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	hartrees
Energy at 0K	-1811.691080
Energy at 298.15K	-1811.695429
HF Energy	-1811.691080
Nuclear repulsion energy	778.432236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	694	673	0.00
2	A₁	563	547	0.00
3	A₁	190	184	0.00
4	A₂	675	655	0.00
5	A₂	240	233	0.00
6	B₁	695	674	0.00
7	B₁	331	321	0.00
8	B₂	922	894	42.78
9	B₂	534	518	57.19
10	B₂	154	150	0.59
11	E	724	703	0.92
11	E	724	703	0.92
12	E	670	650	93.63
12	E	670	650	93.63
13	E	502	487	5.04
13	E	502	487	5.04
14	E	286	277	19.86
14	E	286	277	19.86

Atom	x (Å)	y (Å)	z (Å)
N1	1.331	1.331	0.000
N2	-1.331	1.331	0.000
N3	-1.331	-1.331	0.000
N4	1.331	-1.331	0.000
S5	0.000	1.390	0.992
S6	0.000	-1.390	0.992
S7	1.390	0.000	-0.992
S8	-1.390	0.000	-0.992

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6618	3.7644	2.6618	1.6608	3.1876	1.6608	3.1876
N2	2.6618		2.6618	3.7644	1.6608	3.1876	3.1876	1.6608
N3	3.7644	2.6618		2.6618	3.1876	1.6608	3.1876	1.6608
N4	2.6618	3.7644	2.6618		3.1876	1.6608	1.6608	3.1876
S5	1.6608	1.6608	3.1876	3.1876		2.7809	2.7929	2.7929
S6	3.1876	3.1876	1.6608	1.6608	2.7809		2.7929	2.7929
S7	1.6608	3.1876	3.1876	1.6608	2.7929	2.7929		2.7809
S8	3.1876	1.6608	1.6608	3.1876	2.7929	2.7929	2.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.523	N1	S7	N4	106.523
N2	S8	N3	106.523	N3	S6	N4	106.523
S5	N1	S7	114.453	S5	N2	S8	114.453
S6	N3	S8	114.453	S6	N4	S7	114.453

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

using model chemistry: B3LYP/aug-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	-0.811
2	N	-0.811
3	N	-0.811
4	N	-0.811
5	S	0.811
6	S	0.811
7	S	0.811
8	S	0.811

<r²>	332.431
(<r²>)^1/2	18.233

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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