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	hartrees
Energy at 0K	-1807.669935
Energy at 298.15K	-1807.675624
HF Energy	-1807.669935
Nuclear repulsion energy	821.204715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	830	754	0.00
2	A₁	642	583	0.00
3	A₁	271	247	0.00
4	A₂	856	778	0.00
5	A₂	339	308	0.00
6	B₁	828	753	0.00
7	B₁	417	379	0.00
8	B₂	1063	966	131.89
9	B₂	646	587	107.42
10	B₂	224	203	2.64
11	E	833	757	46.30
11	E	833	757	46.30
12	E	798	725	142.33
12	E	798	725	142.33
13	E	620	564	0.03
13	E	620	564	0.03
14	E	411	373	58.90
14	E	411	373	58.90

Atom	x (Å)	y (Å)	z (Å)
N1	1.271	1.271	0.000
N2	-1.271	1.271	0.000
N3	-1.271	-1.271	0.000
N4	1.271	-1.271	0.000
S5	0.000	1.238	0.996
S6	0.000	-1.238	0.996
S7	1.238	0.000	-0.996
S8	-1.238	0.000	-0.996

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5428	3.5961	2.5428	1.6156	2.9846	1.6156	2.9846
N2	2.5428		2.5428	3.5961	1.6156	2.9846	2.9846	1.6156
N3	3.5961	2.5428		2.5428	2.9846	1.6156	2.9846	1.6156
N4	2.5428	3.5961	2.5428		2.9846	1.6156	1.6156	2.9846
S5	1.6156	1.6156	2.9846	2.9846		2.4767	2.6528	2.6528
S6	2.9846	2.9846	1.6156	1.6156	2.4767		2.6528	2.6528
S7	1.6156	2.9846	2.9846	1.6156	2.6528	2.6528		2.4767
S8	2.9846	1.6156	1.6156	2.9846	2.6528	2.6528	2.4767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	103.803	N1	S7	N4	103.803
N2	S8	N3	103.803	N3	S6	N4	103.803
S5	N1	S7	110.369	S5	N2	S8	110.369
S6	N3	S8	110.369	S6	N4	S7	110.369

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

using model chemistry: HF/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	-0.501
2	N	-0.501
3	N	-0.501
4	N	-0.501
5	S	0.501
6	S	0.501
7	S	0.501
8	S	0.501

<r²>	299.754
(<r²>)^1/2	17.313

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

using model chemistry: HF/TZVP

States and conformations

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