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	hartrees
Energy at 0K	-1810.941011
Energy at 298.15K	-1810.945744
HF Energy	-1810.941011
Nuclear repulsion energy	791.943918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	736	709	0.00
2	A₁	573	552	0.00
3	A₁	212	204	0.00
4	A₂	732	704	0.00
5	A₂	263	253	0.00
6	B₁	743	715	0.00
7	B₁	345	332	0.00
8	B₂	960	923	49.49
9	B₂	550	529	58.59
10	B₂	176	169	0.77
11	E	782	753	0.93
11	E	782	753	0.93
12	E	718	691	97.20
12	E	718	691	97.20
13	E	521	501	4.36
13	E	521	501	4.36
14	E	313	301	17.03
14	E	313	301	17.03

Atom	x (Å)	y (Å)	z (Å)
N1	1.313	1.313	0.000
N2	-1.313	1.313	0.000
N3	-1.313	-1.313	0.000
N4	1.313	-1.313	0.000
S5	0.000	1.335	0.996
S6	0.000	-1.335	0.996
S7	1.335	0.000	-0.996
S8	-1.335	0.000	-0.996

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6260	3.7137	2.6260	1.6483	3.1194	1.6483	3.1194
N2	2.6260		2.6260	3.7137	1.6483	3.1194	3.1194	1.6483
N3	3.7137	2.6260		2.6260	3.1194	1.6483	3.1194	1.6483
N4	2.6260	3.7137	2.6260		3.1194	1.6483	1.6483	3.1194
S5	1.6483	1.6483	3.1194	3.1194		2.6710	2.7453	2.7453
S6	3.1194	3.1194	1.6483	1.6483	2.6710		2.7453	2.7453
S7	1.6483	3.1194	3.1194	1.6483	2.7453	2.7453		2.6710
S8	3.1194	1.6483	1.6483	3.1194	2.7453	2.7453	2.6710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	105.610	N1	S7	N4	105.610
N2	S8	N3	105.610	N3	S6	N4	105.610
S5	N1	S7	112.770	S5	N2	S8	112.770
S6	N3	S8	112.770	S6	N4	S7	112.770

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

using model chemistry: HSEh1PBE/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	-0.864
2	N	-0.864
3	N	-0.864
4	N	-0.864
5	S	0.864
6	S	0.864
7	S	0.864
8	S	0.864

<r²>	320.476
(<r²>)^1/2	17.902

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

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