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	hartrees
Energy at 0K	-1810.866232
Energy at 298.15K	-1810.870320
HF Energy	-1810.393583
Nuclear repulsion energy	764.486989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	664	636	0.00
2	A₁	549	526	0.00
3	A₁	163	156	0.00
4	A₂	652	624	0.00
5	A₂	198	189	0.00
6	B₁	674	646	0.00
7	B₁	311	298	0.00
8	B₂	922	883	32.40
9	B₂	519	497	65.23
10	B₂	148	141	0.01
11	E	785	752	0.18
11	E	785	752	0.18
12	E	648	620	59.73
12	E	648	620	59.73
13	E	478	458	11.30
13	E	478	458	11.30
14	E	270	258	12.77
14	E	270	258	12.77

Atom	x (Å)	y (Å)	z (Å)
N1	1.350	1.350	0.000
N2	-1.350	1.350	0.000
N3	-1.350	-1.350	0.000
N4	1.350	-1.350	0.000
S5	0.000	1.468	0.970
S6	0.000	-1.468	0.970
S7	1.468	0.000	-0.970
S8	-1.468	0.000	-0.970

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6997	3.8180	2.6997	1.6662	3.2717	1.6662	3.2717
N2	2.6997		2.6997	3.8180	1.6662	3.2717	3.2717	1.6662
N3	3.8180	2.6997		2.6997	3.2717	1.6662	3.2717	1.6662
N4	2.6997	3.8180	2.6997		3.2717	1.6662	1.6662	3.2717
S5	1.6662	1.6662	3.2717	3.2717		2.9366	2.8411	2.8411
S6	3.2717	3.2717	1.6662	1.6662	2.9366		2.8411	2.8411
S7	1.6662	3.2717	3.2717	1.6662	2.8411	2.8411		2.9366
S8	3.2717	1.6662	1.6662	3.2717	2.8411	2.8411	2.9366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	108.223	N1	S7	N4	108.223
N2	S8	N3	108.223	N3	S6	N4	108.223
S5	N1	S7	116.984	S5	N2	S8	116.984
S6	N3	S8	116.984	S6	N4	S7	116.984

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

using model chemistry: B2PLYP/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	-0.455
2	N	-0.455
3	N	-0.455
4	N	-0.455
5	S	0.455
6	S	0.455
7	S	0.455
8	S	0.455

<r²>	346.371
(<r²>)^1/2	18.611

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

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

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