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	hartrees
Energy at 0K	-1811.826807
Energy at 298.15K	-1811.831424
HF Energy	-1811.826807
Nuclear repulsion energy	790.006784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	712	689	0.00
2	A₁	575	556	0.00
3	A₁	197	190	0.00
4	A₂	726	702	0.00
5	A₂	256	248	0.00
6	B₁	721	697	0.00
7	B₁	339	328	0.00
8	B₂	957	926	62.81
9	B₂	554	536	60.98
10	B₂	161	156	0.77
11	E	749	725	0.52
11	E	749	725	0.52
12	E	695	672	104.93
12	E	695	672	104.93
13	E	519	502	5.39
13	E	519	502	5.39
14	E	318	308	21.64
14	E	318	308	21.64

Atom	x (Å)	y (Å)	z (Å)
N1	1.309	1.309	0.000
N2	-1.309	1.309	0.000
N3	-1.309	-1.309	0.000
N4	1.309	-1.309	0.000
S5	0.000	1.375	0.976
S6	0.000	-1.375	0.976
S7	1.375	0.000	-0.976
S8	-1.375	0.000	-0.976

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6177	3.7020	2.6177	1.6340	3.1411	1.6340	3.1411
N2	2.6177		2.6177	3.7020	1.6340	3.1411	3.1411	1.6340
N3	3.7020	2.6177		2.6177	3.1411	1.6340	3.1411	1.6340
N4	2.6177	3.7020	2.6177		3.1411	1.6340	1.6340	3.1411
S5	1.6340	1.6340	3.1411	3.1411		2.7491	2.7548	2.7548
S6	3.1411	3.1411	1.6340	1.6340	2.7491		2.7548	2.7548
S7	1.6340	3.1411	3.1411	1.6340	2.7548	2.7548		2.7491
S8	3.1411	1.6340	1.6340	3.1411	2.7548	2.7548	2.7491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.453	N1	S7	N4	106.453
N2	S8	N3	106.453	N3	S6	N4	106.453
S5	N1	S7	114.906	S5	N2	S8	114.906
S6	N3	S8	114.906	S6	N4	S7	114.906

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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	-0.753
2	N	-0.753
3	N	-0.753
4	N	-0.753
5	S	0.753
6	S	0.753
7	S	0.753
8	S	0.753

<r²>	324.085
(<r²>)^1/2	18.002

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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