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	hartrees
Energy at 0K	-1811.246496
Energy at 298.15K	-1811.249130
HF Energy	-1811.246496
Nuclear repulsion energy	718.587353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	582	560	0.00
2	A₁	495	476	0.00
3	A₁	148	142	0.00
4	A₂	448	431	0.00
5	A₂	116	112	0.00
6	B₁	526	506	0.00
7	B₁	277	267	0.00
8	B₂	775	745	10.09
9	B₂	448	431	63.86
10	B₂	131	126	0.29
11	E	600	577	17.36
11	E	600	577	17.36
12	E	497	478	23.21
12	E	497	478	23.21
13	E	416	400	10.81
13	E	416	400	10.81
14	E	161	154	24.67
14	E	161	154	24.67

Atom	x (Å)	y (Å)	z (Å)
N1	1.440	1.440	0.000
N2	-1.440	1.440	0.000
N3	-1.440	-1.440	0.000
N4	1.440	-1.440	0.000
S5	0.000	1.542	1.045
S6	0.000	-1.542	1.045
S7	1.542	0.000	-1.045
S8	-1.542	0.000	-1.045

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.8791	4.0717	2.8791	1.7819	3.4724	1.7819	3.4724
N2	2.8791		2.8791	4.0717	1.7819	3.4724	3.4724	1.7819
N3	4.0717	2.8791		2.8791	3.4724	1.7819	3.4724	1.7819
N4	2.8791	4.0717	2.8791		3.4724	1.7819	1.7819	3.4724
S5	1.7819	1.7819	3.4724	3.4724		3.0850	3.0211	3.0211
S6	3.4724	3.4724	1.7819	1.7819	3.0850		3.0211	3.0211
S7	1.7819	3.4724	3.4724	1.7819	3.0211	3.0211		3.0850
S8	3.4724	1.7819	1.7819	3.4724	3.0211	3.0211	3.0850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	107.781	N1	S7	N4	107.781
N2	S8	N3	107.781	N3	S6	N4	107.781
S5	N1	S7	115.932	S5	N2	S8	115.932
S6	N3	S8	115.932	S6	N4	S7	115.932

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

using model chemistry: B3LYP/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	-0.672
2	N	-0.672
3	N	-0.672
4	N	-0.672
5	S	0.672
6	S	0.672
7	S	0.672
8	S	0.672

<r²>	386.674
(<r²>)^1/2	19.664

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

using model chemistry: B3LYP/6-31G

States and conformations

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