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	hartrees
Energy at 0K	-1808.902595
Energy at 298.15K	-1808.907176
HF Energy	-1807.590494
Nuclear repulsion energy	786.342455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	725	725	0.00
2	A₁	580	580	0.00
3	A₁	210	210	0.00
4	A₂	726	726	0.00
5	A₂	256	256	0.00
6	B₁	738	738	0.00
7	B₁	349	349	0.00
8	B₂	974	974	60.95
9	B₂	556	556	77.15
10	B₂	177	177	0.17
11	E	745	745	1.24
11	E	745	745	1.24
12	E	708	708	100.94
12	E	708	708	100.94
13	E	519	519	6.00
13	E	519	519	6.00
14	E	274	274	33.01
14	E	274	274	33.06

Atom	x (Å)	y (Å)	z (Å)
N1	1.319	1.319	0.000
N2	-1.319	1.319	0.000
N3	-1.319	-1.319	0.000
N4	1.319	-1.319	0.000
S5	0.000	1.360	0.994
S6	0.000	-1.360	0.994
S7	1.360	0.000	-0.994
S8	-1.360	0.000	-0.994

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6384	3.7313	2.6384	1.6521	3.1475	1.6521	3.1475
N2	2.6384		2.6384	3.7313	1.6521	3.1475	3.1475	1.6521
N3	3.7313	2.6384		2.6384	3.1475	1.6521	3.1475	1.6521
N4	2.6384	3.7313	2.6384		3.1475	1.6521	1.6521	3.1475
S5	1.6521	1.6521	3.1475	3.1475		2.7204	2.7659	2.7659
S6	3.1475	3.1475	1.6521	1.6521	2.7204		2.7659	2.7659
S7	1.6521	3.1475	3.1475	1.6521	2.7659	2.7659		2.7204
S8	3.1475	1.6521	1.6521	3.1475	2.7659	2.7659	2.7204

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	105.972	N1	S7	N4	105.972
N2	S8	N3	105.972	N3	S6	N4	105.972
S5	N1	S7	113.667	S5	N2	S8	113.667
S6	N3	S8	113.667	S6	N4	S7	113.667

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

using model chemistry: CCSD=FULL/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=FULL/cc-pVDZ

States and conformations

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