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	hartrees
Energy at 0K	-1811.643649
Energy at 298.15K	-1811.648274
HF Energy	-1811.643649
Nuclear repulsion energy	793.248268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	734	702	0.00
2	A₁	572	547	0.00
3	A₁	197	189	0.00
4	A₂	763	730	0.00
5	A₂	252	241	0.00
6	B₁	747	715	0.00
7	B₁	333	318	0.00
8	B₂	997	954	65.15
9	B₂	567	542	82.49
10	B₂	172	164	0.15
11	E	785	751	0.79
11	E	785	751	0.79
12	E	719	687	119.63
12	E	719	687	119.63
13	E	508	486	9.13
13	E	508	486	9.13
14	E	302	288	28.78
14	E	302	288	28.78

Atom	x (Å)	y (Å)	z (Å)
N1	1.302	1.302	0.000
N2	-1.302	1.302	0.000
N3	-1.302	-1.302	0.000
N4	1.302	-1.302	0.000
S5	0.000	1.370	0.973
S6	0.000	-1.370	0.973
S7	1.370	0.000	-0.973
S8	-1.370	0.000	-0.973

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6046	3.6835	2.6046	1.6269	3.1275	1.6269	3.1275
N2	2.6046		2.6046	3.6835	1.6269	3.1275	3.1275	1.6269
N3	3.6835	2.6046		2.6046	3.1275	1.6269	3.1275	1.6269
N4	2.6046	3.6835	2.6046		3.1275	1.6269	1.6269	3.1275
S5	1.6269	1.6269	3.1275	3.1275		2.7391	2.7452	2.7452
S6	3.1275	3.1275	1.6269	1.6269	2.7391		2.7452	2.7452
S7	1.6269	3.1275	3.1275	1.6269	2.7452	2.7452		2.7391
S8	3.1275	1.6269	1.6269	3.1275	2.7452	2.7452	2.7391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.354	N1	S7	N4	106.354
N2	S8	N3	106.354	N3	S6	N4	106.354
S5	N1	S7	115.068	S5	N2	S8	115.068
S6	N3	S8	115.068	S6	N4	S7	115.068

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

using model chemistry: B1B95/6-31+G**

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	-0.543
2	N	-0.543
3	N	-0.543
4	N	-0.543
5	S	0.543
6	S	0.543
7	S	0.543
8	S	0.543

<r²>	322.130
(<r²>)^1/2	17.948

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

using model chemistry: B1B95/6-31+G**

States and conformations

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