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	hartrees
Energy at 0K	-1807.794209
Energy at 298.15K	-1807.800056
HF Energy	-1807.794209
Nuclear repulsion energy	828.881804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	849	772	0.00
2	A₁	651	593	0.00
3	A₁	291	265	0.00
4	A₂	879	800	0.00
5	A₂	345	314	0.00
6	B₁	859	782	0.00
7	B₁	419	381	0.00
8	B₂	1085	987	158.42
9	B₂	645	587	93.13
10	B₂	241	220	2.08
11	E	867	789	77.88
11	E	867	789	77.88
12	E	817	744	97.33
12	E	817	744	97.33
13	E	635	578	0.46
13	E	635	578	0.46
14	E	420	382	47.12
14	E	420	382	47.12

Atom	x (Å)	y (Å)	z (Å)
N1	1.262	1.262	0.000
N2	-1.262	1.262	0.000
N3	-1.262	-1.262	0.000
N4	1.262	-1.262	0.000
S5	0.000	1.226	0.986
S6	0.000	-1.226	0.986
S7	1.226	0.000	-0.986
S8	-1.226	0.000	-0.986

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5241	3.5697	2.5241	1.6017	2.9585	1.6017	2.9585
N2	2.5241		2.5241	3.5697	1.6017	2.9585	2.9585	1.6017
N3	3.5697	2.5241		2.5241	2.9585	1.6017	2.9585	1.6017
N4	2.5241	3.5697	2.5241		2.9585	1.6017	1.6017	2.9585
S5	1.6017	1.6017	2.9585	2.9585		2.4514	2.6248	2.6248
S6	2.9585	2.9585	1.6017	1.6017	2.4514		2.6248	2.6248
S7	1.6017	2.9585	2.9585	1.6017	2.6248	2.6248		2.4514
S8	2.9585	1.6017	1.6017	2.9585	2.6248	2.6248	2.4514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	103.992	N1	S7	N4	103.992
N2	S8	N3	103.992	N3	S6	N4	103.992
S5	N1	S7	110.046	S5	N2	S8	110.046
S6	N3	S8	110.046	S6	N4	S7	110.046

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

using model chemistry: HF/cc-pVTZ

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	-0.484
2	N	-0.484
3	N	-0.484
4	N	-0.484
5	S	0.484
6	S	0.484
7	S	0.484
8	S	0.484

<r²>	294.054
(<r²>)^1/2	17.148

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

using model chemistry: HF/cc-pVTZ

States and conformations

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