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	hartrees
Energy at 0K	-1811.036862
Energy at 298.15K	-1811.039968
HF Energy	-1811.036862
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	614	614	0.00
2	A₁	525	525	0.00
3	A₁	168	168	0.00
4	A₂	526	526	0.00
5	A₂	161	161	0.00
6	B₁	551	551	0.00
7	B₁	301	301	0.00
8	B₂	839	839	14.21
9	B₂	473	473	75.45
10	B₂	170	170	0.12
11	E	630	630	24.45
11	E	630	630	24.45
12	E	530	530	29.28
12	E	530	530	29.28
13	E	447	447	15.95
13	E	447	447	15.95
14	E	151	151	39.40
14	E	151	151	39.40

Atom	x (Å)	y (Å)	z (Å)
N1	1.405	1.405	0.000
N2	-1.405	1.405	0.000
N3	-1.405	-1.405	0.000
N4	1.405	-1.405	0.000
S5	0.000	1.487	1.048
S6	0.000	-1.487	1.048
S7	1.487	0.000	-1.048
S8	-1.487	0.000	-1.048

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.8102	3.9743	2.8102	1.7550	3.3823	1.7550	3.3823
N2	2.8102		2.8102	3.9743	1.7550	3.3823	3.3823	1.7550
N3	3.9743	2.8102		2.8102	3.3823	1.7550	3.3823	1.7550
N4	2.8102	3.9743	2.8102		3.3823	1.7550	1.7550	3.3823
S5	1.7550	1.7550	3.3823	3.3823		2.9747	2.9699	2.9699
S6	3.3823	3.3823	1.7550	1.7550	2.9747		2.9699	2.9699
S7	1.7550	3.3823	3.3823	1.7550	2.9699	2.9699		2.9747
S8	3.3823	1.7550	1.7550	3.3823	2.9699	2.9699	2.9747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.383	N1	S7	N4	106.383
N2	S8	N3	106.383	N3	S6	N4	106.383
S5	N1	S7	115.583	S5	N2	S8	115.583
S6	N3	S8	115.583	S6	N4	S7	115.583

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

using model chemistry: wB97X-D/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	-0.727
2	N	-0.727
3	N	-0.727
4	N	-0.727
5	S	0.727
6	S	0.727
7	S	0.727
8	S	0.727

<r²>	371.018
(<r²>)^1/2	19.262

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

using model chemistry: wB97X-D/6-31G

States and conformations

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