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	hartrees
Energy at 0K	-1811.401558
Energy at 298.15K	-1811.406263
HF Energy	-1811.401558
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	745	709	0.00
2	A₁	581	553	0.00
3	A₁	203	193	0.00
4	A₂	787	749	0.00
5	A₂	263	250	0.00
6	B₁	754	718	0.00
7	B₁	344	327	0.00
8	B₂	1021	973	70.91
9	B₂	578	550	87.13
10	B₂	155	148	0.37
11	E	785	748	0.41
11	E	785	748	0.41
12	E	727	692	136.77
12	E	727	692	136.77
13	E	522	497	7.41
13	E	522	497	7.41
14	E	307	292	36.91
14	E	307	292	36.91

Atom	x (Å)	y (Å)	z (Å)
N1	1.303	1.303	0.000
N2	-1.303	1.303	0.000
N3	-1.303	-1.303	0.000
N4	1.303	-1.303	0.000
S5	0.000	1.374	0.975
S6	0.000	-1.374	0.975
S7	1.374	0.000	-0.975
S8	-1.374	0.000	-0.975

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6069	3.6867	2.6069	1.6291	3.1337	1.6291	3.1337
N2	2.6069		2.6069	3.6867	1.6291	3.1337	3.1337	1.6291
N3	3.6867	2.6069		2.6069	3.1337	1.6291	3.1337	1.6291
N4	2.6069	3.6867	2.6069		3.1337	1.6291	1.6291	3.1337
S5	1.6291	1.6291	3.1337	3.1337		2.7489	2.7528	2.7528
S6	3.1337	3.1337	1.6291	1.6291	2.7489		2.7528	2.7528
S7	1.6291	3.1337	3.1337	1.6291	2.7528	2.7528		2.7489
S8	3.1337	1.6291	1.6291	3.1337	2.7528	2.7528	2.7489

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	106.279	N1	S7	N4	106.279
N2	S8	N3	106.279	N3	S6	N4	106.279
S5	N1	S7	115.321	S5	N2	S8	115.321
S6	N3	S8	115.321	S6	N4	S7	115.321

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

using model chemistry: wB97X-D/6-31+G**

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	-0.568
2	N	-0.568
3	N	-0.568
4	N	-0.568
5	S	0.568
6	S	0.568
7	S	0.568
8	S	0.568

<r²>	323.536
(<r²>)^1/2	17.987

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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