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	hartrees
Energy at 0K	-1811.521961
Energy at 298.15K	-1811.526776
HF Energy	-1811.521961
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	755	723	0.00
2	A₁	579	554	0.00
3	A₁	214	205	0.00
4	A₂	753	720	0.00
5	A₂	274	263	0.00
6	B₁	758	726	0.00
7	B₁	355	340	0.00
8	B₂	980	938	55.66
9	B₂	559	536	62.59
10	B₂	165	158	1.20
11	E	784	750	1.45
11	E	784	750	1.45
12	E	735	704	107.03
12	E	735	704	107.03
13	E	532	510	3.41
13	E	532	510	3.41
14	E	314	301	22.19
14	E	314	301	22.19

Atom	x (Å)	y (Å)	z (Å)
N1	1.308	1.308	0.000
N2	-1.308	1.308	0.000
N3	-1.308	-1.308	0.000
N4	1.308	-1.308	0.000
S5	0.000	1.320	0.999
S6	0.000	-1.320	0.999
S7	1.320	0.000	-0.999
S8	-1.320	0.000	-0.999

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6151	3.6984	2.6151	1.6454	3.1004	1.6454	3.1004
N2	2.6151		2.6151	3.6984	1.6454	3.1004	3.1004	1.6454
N3	3.6984	2.6151		2.6151	3.1004	1.6454	3.1004	1.6454
N4	2.6151	3.6984	2.6151		3.1004	1.6454	1.6454	3.1004
S5	1.6454	1.6454	3.1004	3.1004		2.6405	2.7341	2.7341
S6	3.1004	3.1004	1.6454	1.6454	2.6405		2.7341	2.7341
S7	1.6454	3.1004	3.1004	1.6454	2.7341	2.7341		2.6405
S8	3.1004	1.6454	1.6454	3.1004	2.7341	2.7341	2.6405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	105.253	N1	S7	N4	105.253
N2	S8	N3	105.253	N3	S6	N4	105.253
S5	N1	S7	112.372	S5	N2	S8	112.372
S6	N3	S8	112.372	S6	N4	S7	112.372

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

using model chemistry: wB97X-D/aug-cc-pVDZ

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	-0.843
2	N	-0.843
3	N	-0.843
4	N	-0.843
5	S	0.843
6	S	0.843
7	S	0.843
8	S	0.843

<r²>	317.386
(<r²>)^1/2	17.815

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

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

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