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	hartrees
Energy at 0K	-1809.127925
Energy at 298.15K	-1809.133027
HF Energy	-1807.618950
Nuclear repulsion energy	810.103851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	771	729	0.00
2	A₁	595	562	0.00
3	A₁	240	227	0.00
4	A₂	795	752	0.00
5	A₂	290	274	0.00
6	B₁	791	748	0.00
7	B₁	368	348	0.00
8	B₂	1005	951	90.64
9	B₂	577	545	68.69
10	B₂	200	190	0.97
11	E	812	768	21.28
11	E	812	768	21.29
12	E	757	716	86.15
12	E	757	716	86.15
13	E	555	524	5.17
13	E	555	524	5.17
14	E	344	326	21.27
14	E	344	326	21.27

Atom	x (Å)	y (Å)	z (Å)
N1	1.287	1.287	0.000
N2	-1.287	1.287	0.000
N3	-1.287	-1.287	0.000
N4	1.287	-1.287	0.000
S5	0.000	1.284	0.988
S6	0.000	-1.284	0.988
S7	1.284	0.000	-0.988
S8	-1.284	0.000	-0.988

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5747	3.6412	2.5747	1.6228	3.0405	1.6228	3.0405
N2	2.5747		2.5747	3.6412	1.6228	3.0405	3.0405	1.6228
N3	3.6412	2.5747		2.5747	3.0405	1.6228	3.0405	1.6228
N4	2.5747	3.6412	2.5747		3.0405	1.6228	1.6228	3.0405
S5	1.6228	1.6228	3.0405	3.0405		2.5677	2.6834	2.6834
S6	3.0405	3.0405	1.6228	1.6228	2.5677		2.6834	2.6834
S7	1.6228	3.0405	3.0405	1.6228	2.6834	2.6834		2.5677
S8	3.0405	1.6228	1.6228	3.0405	2.6834	2.6834	2.5677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	104.991	N1	S7	N4	104.991
N2	S8	N3	104.991	N3	S6	N4	104.991
S5	N1	S7	111.544	S5	N2	S8	111.544
S6	N3	S8	111.544	S6	N4	S7	111.544

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

using model chemistry: CCSD/6-31G(2df,p)

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

using model chemistry: CCSD/6-31G(2df,p)

States and conformations

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