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	hartrees
Energy at 0K	-1808.992858
Energy at 298.15K	-1808.997509
HF Energy	-1807.638495
Nuclear repulsion energy	788.563529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	723	697	0.00
2	A₁	575	554	0.00
3	A₁	228	220	0.00
4	A₂	714	688	0.00
5	A₂	265	256	0.00
6	B₁	727	701	0.00
7	B₁	347	334	0.00
8	B₂	943	908	55.87
9	B₂	546	526	61.74
10	B₂	189	183	1.02
11	E	743	716	2.01
11	E	743	716	2.01
12	E	704	678	101.55
12	E	704	678	101.55
13	E	521	502	4.10
13	E	521	502	4.10
14	E	286	275	19.42
14	E	286	275	19.42

Atom	x (Å)	y (Å)	z (Å)
N1	1.320	1.320	0.000
N2	-1.320	1.320	0.000
N3	-1.320	-1.320	0.000
N4	1.320	-1.320	0.000
S5	0.000	1.329	1.009
S6	0.000	-1.329	1.009
S7	1.329	0.000	-1.009
S8	-1.329	0.000	-1.009

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6393	3.7325	2.6393	1.6615	3.1268	1.6615	3.1268
N2	2.6393		2.6393	3.7325	1.6615	3.1268	3.1268	1.6615
N3	3.7325	2.6393		2.6393	3.1268	1.6615	3.1268	1.6615
N4	2.6393	3.7325	2.6393		3.1268	1.6615	1.6615	3.1268
S5	1.6615	1.6615	3.1268	3.1268		2.6583	2.7585	2.7585
S6	3.1268	3.1268	1.6615	1.6615	2.6583		2.7585	2.7585
S7	1.6615	3.1268	3.1268	1.6615	2.7585	2.7585		2.6583
S8	3.1268	1.6615	1.6615	3.1268	2.7585	2.7585	2.6583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	105.169	N1	S7	N4	105.169
N2	S8	N3	105.169	N3	S6	N4	105.169
S5	N1	S7	112.223	S5	N2	S8	112.223
S6	N3	S8	112.223	S6	N4	S7	112.223

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

using model chemistry: CCSD/aug-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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All results from a given calculation for S4N4 (Tetrasulfur tetranitride)

using model chemistry: CCSD/aug-cc-pVDZ

States and conformations

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