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	hartrees
Energy at 0K	-1797.736415
Energy at 298.15K	-1797.740697
HF Energy	-1797.736415
Nuclear repulsion energy	777.228520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	659	647	0.00
2	A₁	570	559	0.00
3	A₁	176	173	0.00
4	A₂	730	717	0.00
5	A₂	215	211	0.00
6	B₁	661	649	0.00
7	B₁	322	316	0.00
8	B₂	967	950	48.58
9	B₂	542	532	84.68
10	B₂	159	156	0.14
11	E	769	755	2.59
11	E	769	755	2.59
12	E	649	637	63.49
12	E	649	637	63.49
13	E	484	475	25.05
13	E	484	475	25.05
14	E	305	300	21.75
14	E	305	300	21.75

Atom	x (Å)	y (Å)	z (Å)
N1	1.319	1.319	0.000
N2	-1.319	1.319	0.000
N3	-1.319	-1.319	0.000
N4	1.319	-1.319	0.000
S5	0.000	1.449	0.959
S6	0.000	-1.449	0.959
S7	1.449	0.000	-0.959
S8	-1.449	0.000	-0.959

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6375	3.7300	2.6375	1.6359	3.2122	1.6359	3.2122
N2	2.6375		2.6375	3.7300	1.6359	3.2122	3.2122	1.6359
N3	3.7300	2.6375		2.6375	3.2122	1.6359	3.2122	1.6359
N4	2.6375	3.7300	2.6375		3.2122	1.6359	1.6359	3.2122
S5	1.6359	1.6359	3.2122	3.2122		2.8974	2.8069	2.8069
S6	3.2122	3.2122	1.6359	1.6359	2.8974		2.8069	2.8069
S7	1.6359	3.2122	3.2122	1.6359	2.8069	2.8069		2.8974
S8	3.2122	1.6359	1.6359	3.2122	2.8069	2.8069	2.8974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	107.437	N1	S7	N4	107.437
N2	S8	N3	107.437	N3	S6	N4	107.437
S5	N1	S7	118.158	S5	N2	S8	118.158
S6	N3	S8	118.158	S6	N4	S7	118.158

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

using model chemistry: LSDA/3-21G*

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	-0.552
2	N	-0.552
3	N	-0.552
4	N	-0.552
5	S	0.552
6	S	0.552
7	S	0.552
8	S	0.552

<r²>	336.755
(<r²>)^1/2	18.351

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

using model chemistry: LSDA/3-21G*

States and conformations

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