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	hartrees
Energy at 0K	-1811.693224
Energy at 298.15K	-1811.697536
HF Energy	-1811.693224
Nuclear repulsion energy	777.970579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	693	674	0.00
2	A₁	558	543	0.00
3	A₁	190	185	0.00
4	A₂	678	660	0.00
5	A₂	227	221	0.00
6	B₁	702	683	0.00
7	B₁	327	318	0.00
8	B₂	930	905	39.89
9	B₂	529	514	64.45
10	B₂	168	163	0.03
11	E	741	721	0.67
11	E	741	721	0.67
12	E	675	656	85.73
12	E	675	656	85.73
13	E	491	478	6.48
13	E	491	478	6.48
14	E	277	270	21.28
14	E	277	270	21.28

Atom	x (Å)	y (Å)	z (Å)
N1	1.334	1.334	0.000
N2	-1.334	1.334	0.000
N3	-1.334	-1.334	0.000
N4	1.334	-1.334	0.000
S5	0.000	1.396	0.986
S6	0.000	-1.396	0.986
S7	1.396	0.000	-0.986
S8	-1.396	0.000	-0.986

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6671	3.7718	2.6671	1.6597	3.1940	1.6597	3.1940
N2	2.6671		2.6671	3.7718	1.6597	3.1940	3.1940	1.6597
N3	3.7718	2.6671		2.6671	3.1940	1.6597	3.1940	1.6597
N4	2.6671	3.7718	2.6671		3.1940	1.6597	1.6597	3.1940
S5	1.6597	1.6597	3.1940	3.1940		2.7922	2.7907	2.7907
S6	3.1940	3.1940	1.6597	1.6597	2.7922		2.7907	2.7907
S7	1.6597	3.1940	3.1940	1.6597	2.7907	2.7907		2.7922
S8	3.1940	1.6597	1.6597	3.1940	2.7907	2.7907	2.7922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.924	N1	S7	N4	106.924
N2	S8	N3	106.924	N3	S6	N4	106.924
S5	N1	S7	114.431	S5	N2	S8	114.431
S6	N3	S8	114.431	S6	N4	S7	114.431

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

using model chemistry: TPSSh/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	-0.459
2	N	-0.459
3	N	-0.459
4	N	-0.459
5	S	0.459
6	S	0.459
7	S	0.459
8	S	0.459

<r²>	332.466
(<r²>)^1/2	18.234

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

using model chemistry: TPSSh/cc-pVDZ

States and conformations

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