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	hartrees
Energy at 0K	-1811.568343
Energy at 298.15K	-1811.572369
HF Energy	-1811.568343
Nuclear repulsion energy	772.549339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	649	645	0.00
2	A₁	550	547	0.00
3	A₁	165	164	0.00
4	A₂	654	650	0.00
5	A₂	217	215	0.00
6	B₁	667	664	0.00
7	B₁	316	314	0.00
8	B₂	884	879	43.26
9	B₂	518	515	48.75
10	B₂	135	134	0.15
11	E	699	695	0.01
11	E	699	695	0.01
12	E	637	634	70.39
12	E	637	634	70.39
13	E	482	479	7.51
13	E	482	479	7.51
14	E	283	281	15.00
14	E	283	281	15.00

Atom	x (Å)	y (Å)	z (Å)
N1	1.340	1.340	0.000
N2	-1.340	1.340	0.000
N3	-1.340	-1.340	0.000
N4	1.340	-1.340	0.000
S5	0.000	1.440	0.967
S6	0.000	-1.440	0.967
S7	1.440	0.000	-0.967
S8	-1.440	0.000	-0.967

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6794	3.7893	2.6794	1.6550	3.2337	1.6550	3.2337
N2	2.6794		2.6794	3.7893	1.6550	3.2337	3.2337	1.6550
N3	3.7893	2.6794		2.6794	3.2337	1.6550	3.2337	1.6550
N4	2.6794	3.7893	2.6794		3.2337	1.6550	1.6550	3.2337
S5	1.6550	1.6550	3.2337	3.2337		2.8803	2.8080	2.8080
S6	3.2337	3.2337	1.6550	1.6550	2.8803		2.8080	2.8080
S7	1.6550	3.2337	3.2337	1.6550	2.8080	2.8080		2.8803
S8	3.2337	1.6550	1.6550	3.2337	2.8080	2.8080	2.8803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	108.090	N1	S7	N4	108.090
N2	S8	N3	108.090	N3	S6	N4	108.090
S5	N1	S7	116.060	S5	N2	S8	116.060
S6	N3	S8	116.060	S6	N4	S7	116.060

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.185
2	N	-0.185
3	N	-0.185
4	N	-0.185
5	S	0.185
6	S	0.185
7	S	0.185
8	S	0.185

<r²>	338.379
(<r²>)^1/2	18.395

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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