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	hartrees
Energy at 0K	-1802.459711
Energy at 298.15K	-1802.462633
HF Energy	-1802.459711
Nuclear repulsion energy	727.168796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	589	571	0.00
2	A₁	502	487	0.00
3	A₁	175	170	0.00
4	A₂	459	445	0.00
5	A₂	126	122	0.00
6	B₁	550	532	0.00
7	B₁	285	277	0.00
8	B₂	767	743	2.94
9	B₂	450	436	57.76
10	B₂	172	167	0.37
11	E	612	593	13.79
11	E	612	593	13.79
12	E	524	508	16.79
12	E	524	508	16.79
13	E	420	407	9.80
13	E	420	407	9.80
14	E	172	167	16.88
14	E	172	167	16.88

Atom	x (Å)	y (Å)	z (Å)
N1	1.432	1.432	0.000
N2	-1.432	1.432	0.000
N3	-1.432	-1.432	0.000
N4	1.432	-1.432	0.000
S5	0.000	1.490	1.052
S6	0.000	-1.490	1.052
S7	1.490	0.000	-1.052
S8	-1.490	0.000	-1.052

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.8646	4.0511	2.8646	1.7782	3.4202	1.7782	3.4202
N2	2.8646		2.8646	4.0511	1.7782	3.4202	3.4202	1.7782
N3	4.0511	2.8646		2.8646	3.4202	1.7782	3.4202	1.7782
N4	2.8646	4.0511	2.8646		3.4202	1.7782	1.7782	3.4202
S5	1.7782	1.7782	3.4202	3.4202		2.9798	2.9780	2.9780
S6	3.4202	3.4202	1.7782	1.7782	2.9798		2.9780	2.9780
S7	1.7782	3.4202	3.4202	1.7782	2.9780	2.9780		2.9798
S8	3.4202	1.7782	1.7782	3.4202	2.9780	2.9780	2.9798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	107.312	N1	S7	N4	107.312
N2	S8	N3	107.312	N3	S6	N4	107.312
S5	N1	S7	113.727	S5	N2	S8	113.727
S6	N3	S8	113.727	S6	N4	S7	113.727

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

using model chemistry: TPSSh/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	-0.629
2	N	-0.629
3	N	-0.629
4	N	-0.629
5	S	0.629
6	S	0.629
7	S	0.629
8	S	0.629

<r²>	376.013
(<r²>)^1/2	19.391

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

using model chemistry: TPSSh/3-21G

States and conformations

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