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	hartrees
Energy at 0K	-1806.362246
Energy at 298.15K	-1806.367111
HF Energy	-1806.362246
Nuclear repulsion energy	804.368046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	744	732	0.00
2	A₁	572	563	0.00
3	A₁	217	213	0.00
4	A₂	795	783	0.00
5	A₂	261	257	0.00
6	B₁	765	753	0.00
7	B₁	339	333	0.00
8	B₂	982	967	59.07
9	B₂	557	548	55.75
10	B₂	190	187	0.27
11	E	837	823	4.40
11	E	837	823	4.40
12	E	737	725	76.77
12	E	737	725	76.77
13	E	517	509	7.68
13	E	517	509	7.68
14	E	337	331	12.88
14	E	337	331	12.88

Atom	x (Å)	y (Å)	z (Å)
N1	1.289	1.289	0.000
N2	-1.289	1.289	0.000
N3	-1.289	-1.289	0.000
N4	1.289	-1.289	0.000
S5	0.000	1.324	0.977
S6	0.000	-1.324	0.977
S7	1.324	0.000	-0.977
S8	-1.324	0.000	-0.977

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5777	3.6454	2.5777	1.6178	3.0730	1.6178	3.0730
N2	2.5777		2.5777	3.6454	1.6178	3.0730	3.0730	1.6178
N3	3.6454	2.5777		2.5777	3.0730	1.6178	3.0730	1.6178
N4	2.5777	3.6454	2.5777		3.0730	1.6178	1.6178	3.0730
S5	1.6178	1.6178	3.0730	3.0730		2.6481	2.7065	2.7065
S6	3.0730	3.0730	1.6178	1.6178	2.6481		2.7065	2.7065
S7	1.6178	3.0730	3.0730	1.6178	2.7065	2.7065		2.6481
S8	3.0730	1.6178	1.6178	3.0730	2.7065	2.7065	2.6481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	105.630	N1	S7	N4	105.630
N2	S8	N3	105.630	N3	S6	N4	105.630
S5	N1	S7	113.546	S5	N2	S8	113.546
S6	N3	S8	113.546	S6	N4	S7	113.546

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

using model chemistry: LSDA/6-31G(2df,p)

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	-0.146
2	N	-0.146
3	N	-0.146
4	N	-0.146
5	S	0.146
6	S	0.146
7	S	0.146
8	S	0.146

<r²>	311.416
(<r²>)^1/2	17.647

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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