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	hartrees
Energy at 0K	-1811.779109
Energy at 298.15K	-1811.783842
HF Energy	-1811.779109
Nuclear repulsion energy	795.440491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	734	705	0.00
2	A₁	580	557	0.00
3	A₁	201	193	0.00
4	A₂	759	729	0.00
5	A₂	256	245	0.00
6	B₁	739	710	0.00
7	B₁	343	329	0.00
8	B₂	997	958	77.00
9	B₂	575	552	90.91
10	B₂	183	175	0.22
11	E	775	744	0.09
11	E	775	744	0.09
12	E	716	688	120.61
12	E	716	688	120.61
13	E	515	495	9.51
13	E	515	495	9.51
14	E	317	304	32.62
14	E	317	304	32.62

Atom	x (Å)	y (Å)	z (Å)
N1	1.297	1.297	0.000
N2	-1.297	1.297	0.000
N3	-1.297	-1.297	0.000
N4	1.297	-1.297	0.000
S5	0.000	1.363	0.974
S6	0.000	-1.363	0.974
S7	1.363	0.000	-0.974
S8	-1.363	0.000	-0.974

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5938	3.6682	2.5938	1.6233	3.1158	1.6233	3.1158
N2	2.5938		2.5938	3.6682	1.6233	3.1158	3.1158	1.6233
N3	3.6682	2.5938		2.5938	3.1158	1.6233	3.1158	1.6233
N4	2.5938	3.6682	2.5938		3.1158	1.6233	1.6233	3.1158
S5	1.6233	1.6233	3.1158	3.1158		2.7269	2.7409	2.7409
S6	3.1158	3.1158	1.6233	1.6233	2.7269		2.7409	2.7409
S7	1.6233	3.1158	3.1158	1.6233	2.7409	2.7409		2.7269
S8	3.1158	1.6233	1.6233	3.1158	2.7409	2.7409	2.7269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.057	N1	S7	N4	106.057
N2	S8	N3	106.057	N3	S6	N4	106.057
S5	N1	S7	115.183	S5	N2	S8	115.183
S6	N3	S8	115.183	S6	N4	S7	115.183

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

using model chemistry: B1B95/6-311G**

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	-0.588
2	N	-0.588
3	N	-0.588
4	N	-0.588
5	S	0.588
6	S	0.588
7	S	0.588
8	S	0.588

<r²>	320.346
(<r²>)^1/2	17.898

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

using model chemistry: B1B95/6-311G**

States and conformations

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