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	hartrees
Energy at 0K	-1811.760471
Energy at 298.15K	-1811.764894
HF Energy	-1811.760471
Nuclear repulsion energy	782.576762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	696	671	0.00
2	A₁	557	536	0.00
3	A₁	194	187	0.00
4	A₂	690	665	0.00
5	A₂	238	230	0.00
6	B₁	702	676	0.00
7	B₁	329	317	0.00
8	B₂	935	901	48.94
9	B₂	547	527	70.36
10	B₂	171	165	0.25
11	E	744	717	0.14
11	E	744	717	0.14
12	E	676	651	102.07
12	E	676	651	102.07
13	E	491	474	5.48
13	E	491	474	5.48
14	E	300	289	23.93
14	E	300	289	23.93

Atom	x (Å)	y (Å)	z (Å)
N1	1.323	1.323	0.000
N2	-1.323	1.323	0.000
N3	-1.323	-1.323	0.000
N4	1.323	-1.323	0.000
S5	0.000	1.385	0.986
S6	0.000	-1.385	0.986
S7	1.385	0.000	-0.986
S8	-1.385	0.000	-0.986

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6455	3.7414	2.6455	1.6510	3.1707	1.6510	3.1707
N2	2.6455		2.6455	3.7414	1.6510	3.1707	3.1707	1.6510
N3	3.7414	2.6455		2.6455	3.1707	1.6510	3.1707	1.6510
N4	2.6455	3.7414	2.6455		3.1707	1.6510	1.6510	3.1707
S5	1.6510	1.6510	3.1707	3.1707		2.7698	2.7793	2.7793
S6	3.1707	3.1707	1.6510	1.6510	2.7698		2.7793	2.7793
S7	1.6510	3.1707	3.1707	1.6510	2.7793	2.7793		2.7698
S8	3.1707	1.6510	1.6510	3.1707	2.7793	2.7793	2.7698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.489	N1	S7	N4	106.489
N2	S8	N3	106.489	N3	S6	N4	106.489
S5	N1	S7	114.642	S5	N2	S8	114.642
S6	N3	S8	114.642	S6	N4	S7	114.642

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

using model chemistry: TPSSh/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	-0.375
2	N	-0.375
3	N	-0.375
4	N	-0.375
5	S	0.375
6	S	0.375
7	S	0.375
8	S	0.375

<r²>	329.574
(<r²>)^1/2	18.154

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

using model chemistry: TPSSh/TZVP

States and conformations

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