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	hartrees
Energy at 0K	-1810.653032
Energy at 298.15K	-1810.657033
HF Energy	-1810.653032
Nuclear repulsion energy	770.524717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	662	653	0.00
2	A₁	551	543	0.00
3	A₁	165	163	0.00
4	A₂	662	653	0.00
5	A₂	207	204	0.00
6	B₁	680	670	0.00
7	B₁	313	309	0.00
8	B₂	909	896	42.16
9	B₂	529	521	71.45
10	B₂	140	138	0.00
11	E	729	718	0.18
11	E	729	718	0.18
12	E	649	639	79.45
12	E	649	639	79.45
13	E	475	469	11.17
13	E	475	469	11.17
14	E	271	267	18.15
14	E	271	267	18.15

Atom	x (Å)	y (Å)	z (Å)
N1	1.343	1.343	0.000
N2	-1.343	1.343	0.000
N3	-1.343	-1.343	0.000
N4	1.343	-1.343	0.000
S5	0.000	1.444	0.969
S6	0.000	-1.444	0.969
S7	1.444	0.000	-0.969
S8	-1.444	0.000	-0.969

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6866	3.7995	2.6866	1.6593	3.2424	1.6593	3.2424
N2	2.6866		2.6866	3.7995	1.6593	3.2424	3.2424	1.6593
N3	3.7995	2.6866		2.6866	3.2424	1.6593	3.2424	1.6593
N4	2.6866	3.7995	2.6866		3.2424	1.6593	1.6593	3.2424
S5	1.6593	1.6593	3.2424	3.2424		2.8883	2.8152	2.8152
S6	3.2424	3.2424	1.6593	1.6593	2.8883		2.8152	2.8152
S7	1.6593	3.2424	3.2424	1.6593	2.8152	2.8152		2.8883
S8	3.2424	1.6593	1.6593	3.2424	2.8152	2.8152	2.8883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	108.109	N1	S7	N4	108.109
N2	S8	N3	108.109	N3	S6	N4	108.109
S5	N1	S7	116.059	S5	N2	S8	116.059
S6	N3	S8	116.059	S6	N4	S7	116.059

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

using model chemistry: PBEPBE/6-31G*

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	-0.583
2	N	-0.583
3	N	-0.583
4	N	-0.583
5	S	0.583
6	S	0.583
7	S	0.583
8	S	0.583

<r²>	340.690
(<r²>)^1/2	18.458

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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