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	hartrees
Energy at 0K	-1810.669250
Energy at 298.15K	-1810.673303
HF Energy	-1810.669250
Nuclear repulsion energy	771.057233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	662	655	0.00
2	A₁	548	542	0.00
3	A₁	167	166	0.00
4	A₂	667	660	0.00
5	A₂	212	210	0.00
6	B₁	675	667	0.00
7	B₁	308	304	0.00
8	B₂	910	900	39.42
9	B₂	531	525	66.13
10	B₂	140	139	0.02
11	E	734	725	0.08
11	E	734	725	0.08
12	E	646	638	90.03
12	E	646	638	90.03
13	E	474	468	9.01
13	E	474	468	9.01
14	E	275	272	19.25
14	E	275	272	19.25

Atom	x (Å)	y (Å)	z (Å)
N1	1.340	1.340	0.000
N2	-1.340	1.340	0.000
N3	-1.340	-1.340	0.000
N4	1.340	-1.340	0.000
S5	0.000	1.442	0.972
S6	0.000	-1.442	0.972
S7	1.442	0.000	-0.972
S8	-1.442	0.000	-0.972

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6796	3.7895	2.6796	1.6583	3.2371	1.6583	3.2371
N2	2.6796		2.6796	3.7895	1.6583	3.2371	3.2371	1.6583
N3	3.7895	2.6796		2.6796	3.2371	1.6583	3.2371	1.6583
N4	2.6796	3.7895	2.6796		3.2371	1.6583	1.6583	3.2371
S5	1.6583	1.6583	3.2371	3.2371		2.8845	2.8173	2.8173
S6	3.2371	3.2371	1.6583	1.6583	2.8845		2.8173	2.8173
S7	1.6583	3.2371	3.2371	1.6583	2.8173	2.8173		2.8845
S8	3.2371	1.6583	1.6583	3.2371	2.8173	2.8173	2.8845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	107.790	N1	S7	N4	107.790
N2	S8	N3	107.790	N3	S6	N4	107.790
S5	N1	S7	116.311	S5	N2	S8	116.311
S6	N3	S8	116.311	S6	N4	S7	116.311

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

using model chemistry: PBEPBEultrafine/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	-0.474
2	N	-0.474
3	N	-0.474
4	N	-0.474
5	S	0.474
6	S	0.474
7	S	0.474
8	S	0.474

<r²>	340.935
(<r²>)^1/2	18.464

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

using model chemistry: PBEPBEultrafine/6-31+G**

States and conformations

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