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	hartrees
Energy at 0K	-1802.118219
Energy at 298.15K	-1802.121433
HF Energy	-1802.118219
Nuclear repulsion energy	732.779171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	603	579	0.00
2	A₁	521	501	0.00
3	A₁	178	171	0.00
4	A₂	507	487	0.00
5	A₂	149	143	0.00
6	B₁	563	541	0.00
7	B₁	297	285	0.00
8	B₂	805	773	5.90
9	B₂	467	449	64.87
10	B₂	171	165	0.36
11	E	636	611	13.75
11	E	636	611	13.75
12	E	543	522	21.94
12	E	543	522	21.94
13	E	437	420	11.61
13	E	437	420	11.61
14	E	191	183	21.60
14	E	191	183	21.60

Atom	x (Å)	y (Å)	z (Å)
N1	1.418	1.418	0.000
N2	-1.418	1.418	0.000
N3	-1.418	-1.418	0.000
N4	1.418	-1.418	0.000
S5	0.000	1.484	1.043
S6	0.000	-1.484	1.043
S7	1.484	0.000	-1.043
S8	-1.484	0.000	-1.043

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.8356	4.0102	2.8356	1.7613	3.3942	1.7613	3.3942
N2	2.8356		2.8356	4.0102	1.7613	3.3942	3.3942	1.7613
N3	4.0102	2.8356		2.8356	3.3942	1.7613	3.3942	1.7613
N4	2.8356	4.0102	2.8356		3.3942	1.7613	1.7613	3.3942
S5	1.7613	1.7613	3.3942	3.3942		2.9689	2.9592	2.9592
S6	3.3942	3.3942	1.7613	1.7613	2.9689		2.9592	2.9592
S7	1.7613	3.3942	3.3942	1.7613	2.9592	2.9592		2.9689
S8	3.3942	1.7613	1.7613	3.3942	2.9592	2.9592	2.9689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	107.219	N1	S7	N4	107.219
N2	S8	N3	107.219	N3	S6	N4	107.219
S5	N1	S7	114.296	S5	N2	S8	114.296
S6	N3	S8	114.296	S6	N4	S7	114.296

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

using model chemistry: B3PW91/3-21G

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	-0.670
2	N	-0.670
3	N	-0.670
4	N	-0.670
5	S	0.670
6	S	0.670
7	S	0.670
8	S	0.670

<r²>	371.425
(<r²>)^1/2	19.272

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

using model chemistry: B3PW91/3-21G

States and conformations

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