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	hartrees
Energy at 0K	-1811.596389
Energy at 298.15K	-1811.600014
HF Energy	-1811.596389
Nuclear repulsion energy	755.025955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	627	628	0.00
2	A₁	535	536	0.00
3	A₁	155	155	0.00
4	A₂	571	572	0.00
5	A₂	179	180	0.00
6	B₁	629	630	0.00
7	B₁	302	302	0.00
8	B₂	854	856	27.93
9	B₂	497	498	54.78
10	B₂	131	131	0.01
11	E	664	665	8.02
11	E	664	665	8.02
12	E	598	599	61.87
12	E	598	599	61.87
13	E	460	461	7.04
13	E	460	461	7.04
14	E	245	246	18.38
14	E	245	246	18.38

Atom	x (Å)	y (Å)	z (Å)
N1	1.372	1.372	0.000
N2	-1.372	1.372	0.000
N3	-1.372	-1.372	0.000
N4	1.372	-1.372	0.000
S5	0.000	1.486	0.976
S6	0.000	-1.486	0.976
S7	1.486	0.000	-0.976
S8	-1.486	0.000	-0.976

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.7447	3.8816	2.7447	1.6881	3.3175	1.6881	3.3175
N2	2.7447		2.7447	3.8816	1.6881	3.3175	3.3175	1.6881
N3	3.8816	2.7447		2.7447	3.3175	1.6881	3.3175	1.6881
N4	2.7447	3.8816	2.7447		3.3175	1.6881	1.6881	3.3175
S5	1.6881	1.6881	3.3175	3.3175		2.9715	2.8686	2.8686
S6	3.3175	3.3175	1.6881	1.6881	2.9715		2.8686	2.8686
S7	1.6881	3.3175	3.3175	1.6881	2.8686	2.8686		2.9715
S8	3.3175	1.6881	1.6881	3.3175	2.8686	2.8686	2.9715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	108.771	N1	S7	N4	108.771
N2	S8	N3	108.771	N3	S6	N4	108.771
S5	N1	S7	116.348	S5	N2	S8	116.348
S6	N3	S8	116.348	S6	N4	S7	116.348

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	N	-0.420
2	N	-0.420
3	N	-0.420
4	N	-0.420
5	S	0.420
6	S	0.420
7	S	0.420
8	S	0.420

<r²>	353.566
(<r²>)^1/2	18.803

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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