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	hartrees
Energy at 0K	-1810.817172
Energy at 298.15K	-1810.821346
HF Energy	-1810.817172
Nuclear repulsion energy	774.070838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	669	661	0.00
2	A₁	544	538	0.00
3	A₁	175	173	0.00
4	A₂	654	646	0.00
5	A₂	222	219	0.00
6	B₁	676	668	0.00
7	B₁	316	313	0.00
8	B₂	903	893	40.60
9	B₂	534	528	64.28
10	B₂	150	148	0.07
11	E	731	722	0.59
11	E	731	722	0.59
12	E	648	640	89.00
12	E	648	640	89.00
13	E	475	470	6.29
13	E	475	470	6.29
14	E	292	289	19.76
14	E	292	289	19.76

Atom	x (Å)	y (Å)	z (Å)
N1	1.337	1.337	0.000
N2	-1.337	1.337	0.000
N3	-1.337	-1.337	0.000
N4	1.337	-1.337	0.000
S5	0.000	1.414	0.986
S6	0.000	-1.414	0.986
S7	1.414	0.000	-0.986
S8	-1.414	0.000	-0.986

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6730	3.7802	2.6730	1.6626	3.2128	1.6626	3.2128
N2	2.6730		2.6730	3.7802	1.6626	3.2128	3.2128	1.6626
N3	3.7802	2.6730		2.6730	3.2128	1.6626	3.2128	1.6626
N4	2.6730	3.7802	2.6730		3.2128	1.6626	1.6626	3.2128
S5	1.6626	1.6626	3.2128	3.2128		2.8274	2.8081	2.8081
S6	3.2128	3.2128	1.6626	1.6626	2.8274		2.8081	2.8081
S7	1.6626	3.2128	3.2128	1.6626	2.8081	2.8081		2.8274
S8	3.2128	1.6626	1.6626	3.2128	2.8081	2.8081	2.8274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.999	N1	S7	N4	106.999
N2	S8	N3	106.999	N3	S6	N4	106.999
S5	N1	S7	115.233	S5	N2	S8	115.233
S6	N3	S8	115.233	S6	N4	S7	115.233

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

using model chemistry: PBEPBEultrafine/TZVP

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	-0.363
2	N	-0.363
3	N	-0.363
4	N	-0.363
5	S	0.363
6	S	0.363
7	S	0.363
8	S	0.363

<r²>	336.916
(<r²>)^1/2	18.355

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

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

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