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	hartrees
Energy at 0K	-1810.814325
Energy at 298.15K	-1810.819033
HF Energy	-1810.814325
Nuclear repulsion energy	790.179541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	738	710	0.00
2	A₁	577	555	0.00
3	A₁	204	196	0.00
4	A₂	742	713	0.00
5	A₂	256	246	0.00
6	B₁	748	719	0.00
7	B₁	346	333	0.00
8	B₂	983	946	54.80
9	B₂	555	534	71.57
10	B₂	175	168	0.13
11	E	788	758	0.02
11	E	788	758	0.02
12	E	722	694	100.19
12	E	722	694	100.19
13	E	519	499	5.61
13	E	519	499	5.61
14	E	309	297	24.91
14	E	309	297	24.91

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	1.355	0.988
S6	0.000	-1.355	0.988
S7	1.355	0.000	-0.988
S8	-1.355	0.000	-0.988

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6263	3.7141	2.6263	1.6436	3.1333	1.6436	3.1333
N2	2.6263		2.6263	3.7141	1.6436	3.1333	3.1333	1.6436
N3	3.7141	2.6263		2.6263	3.1333	1.6436	3.1333	1.6436
N4	2.6263	3.7141	2.6263		3.1333	1.6436	1.6436	3.1333
S5	1.6436	1.6436	3.1333	3.1333		2.7095	2.7517	2.7517
S6	3.1333	3.1333	1.6436	1.6436	2.7095		2.7517	2.7517
S7	1.6436	3.1333	3.1333	1.6436	2.7517	2.7517		2.7095
S8	3.1333	1.6436	1.6436	3.1333	2.7517	2.7517	2.7095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.059	N1	S7	N4	106.059
N2	S8	N3	106.059	N3	S6	N4	106.059
S5	N1	S7	113.673	S5	N2	S8	113.673
S6	N3	S8	113.673	S6	N4	S7	113.673

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

using model chemistry: PBE1PBE/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	-0.477
2	N	-0.477
3	N	-0.477
4	N	-0.477
5	S	0.477
6	S	0.477
7	S	0.477
8	S	0.477

<r²>	322.452
(<r²>)^1/2	17.957

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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