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	hartrees
Energy at 0K	-1811.412822
Energy at 298.15K	-1811.417957
HF Energy	-1811.412822
Nuclear repulsion energy	810.103129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	785	748	0.00
2	A₁	599	570	0.00
3	A₁	236	225	0.00
4	A₂	805	766	0.00
5	A₂	289	275	0.00
6	B₁	802	764	0.00
7	B₁	367	350	0.00
8	B₂	1026	978	90.37
9	B₂	584	556	67.76
10	B₂	203	194	0.79
11	E	810	771	18.22
11	E	810	771	18.22
12	E	770	733	95.40
12	E	770	733	95.40
13	E	554	528	5.12
13	E	554	528	5.12
14	E	347	331	26.49
14	E	347	331	26.49

Atom	x (Å)	y (Å)	z (Å)
N1	1.283	1.283	0.000
N2	-1.283	1.283	0.000
N3	-1.283	-1.283	0.000
N4	1.283	-1.283	0.000
S5	0.000	1.298	0.981
S6	0.000	-1.298	0.981
S7	1.298	0.000	-0.981
S8	-1.298	0.000	-0.981

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5665	3.6296	2.5665	1.6152	3.0446	1.6152	3.0446
N2	2.5665		2.5665	3.6296	1.6152	3.0446	3.0446	1.6152
N3	3.6296	2.5665		2.5665	3.0446	1.6152	3.0446	1.6152
N4	2.5665	3.6296	2.5665		3.0446	1.6152	1.6152	3.0446
S5	1.6152	1.6152	3.0446	3.0446		2.5953	2.6862	2.6862
S6	3.0446	3.0446	1.6152	1.6152	2.5953		2.6862	2.6862
S7	1.6152	3.0446	3.0446	1.6152	2.6862	2.6862		2.5953
S8	3.0446	1.6152	1.6152	3.0446	2.6862	2.6862	2.5953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	105.212	N1	S7	N4	105.212
N2	S8	N3	105.212	N3	S6	N4	105.212
S5	N1	S7	112.515	S5	N2	S8	112.515
S6	N3	S8	112.515	S6	N4	S7	112.515

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

using model chemistry: M06-2X/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	-0.302
2	N	-0.302
3	N	-0.302
4	N	-0.302
5	S	0.302
6	S	0.302
7	S	0.302
8	S	0.302

<r²>	306.997
(<r²>)^1/2	17.521

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

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

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