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	hartrees
Energy at 0K	-1811.629655
Energy at 298.15K	-1811.634284
HF Energy	-1811.629655
Nuclear repulsion energy	792.952452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	734	701	0.00
2	A₁	576	550	0.00
3	A₁	197	188	0.00
4	A₂	760	726	0.00
5	A₂	250	238	0.00
6	B₁	751	717	0.00
7	B₁	341	325	0.00
8	B₂	997	952	69.65
9	B₂	565	540	88.89
10	B₂	176	168	0.06
11	E	782	747	0.87
11	E	782	747	0.87
12	E	722	689	109.38
12	E	722	689	109.38
13	E	511	488	11.05
13	E	511	488	11.05
14	E	300	287	28.29
14	E	300	287	28.29

Atom	x (Å)	y (Å)	z (Å)
N1	1.305	1.305	0.000
N2	-1.305	1.305	0.000
N3	-1.305	-1.305	0.000
N4	1.305	-1.305	0.000
S5	0.000	1.370	0.971
S6	0.000	-1.370	0.971
S7	1.370	0.000	-0.971
S8	-1.370	0.000	-0.971

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6093	3.6901	2.6093	1.6278	3.1303	1.6278	3.1303
N2	2.6093		2.6093	3.6901	1.6278	3.1303	3.1303	1.6278
N3	3.6901	2.6093		2.6093	3.1303	1.6278	3.1303	1.6278
N4	2.6093	3.6901	2.6093		3.1303	1.6278	1.6278	3.1303
S5	1.6278	1.6278	3.1303	3.1303		2.7397	2.7435	2.7435
S6	3.1303	3.1303	1.6278	1.6278	2.7397		2.7435	2.7435
S7	1.6278	3.1303	3.1303	1.6278	2.7435	2.7435		2.7397
S8	3.1303	1.6278	1.6278	3.1303	2.7435	2.7435	2.7397

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.540	N1	S7	N4	106.540
N2	S8	N3	106.540	N3	S6	N4	106.540
S5	N1	S7	114.850	S5	N2	S8	114.850
S6	N3	S8	114.850	S6	N4	S7	114.850

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

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

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	-0.639
2	N	-0.639
3	N	-0.639
4	N	-0.639
5	S	0.639
6	S	0.639
7	S	0.639
8	S	0.639

<r²>	321.792
(<r²>)^1/2	17.939

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

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

States and conformations

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