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	hartrees
Energy at 0K	-1810.974127
Energy at 298.15K
HF Energy	-1810.396138
Nuclear repulsion energy	787.890986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	704	704	0.00
2	A₁	568	568	0.00
3	A₁	180	180	0.00
4	A₂	750	750	0.00
5	A₂	243	243	0.00
6	B₁	727	727	0.00
7	B₁	331	331	0.00
8	B₂	966	966	53.27
9	B₂	545	545	58.72
10	B₂	157	157	0.30
11	E	818	818	3.37
11	E	818	818	3.37
12	E	699	699	67.50
12	E	699	699	67.50
13	E	507	507	10.44
13	E	507	507	10.44
14	E	312	312	11.91
14	E	312	312	11.91

Atom	x (Å)	y (Å)	z (Å)
N1	1.312	1.312	0.000
N2	-1.312	1.312	0.000
N3	-1.312	-1.312	0.000
N4	1.312	-1.312	0.000
S5	0.000	1.393	0.966
S6	0.000	-1.393	0.966
S7	1.393	0.000	-0.966
S8	-1.393	0.000	-0.966

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6231	3.7097	2.6231	1.6312	3.1576	1.6312	3.1576
N2	2.6231		2.6231	3.7097	1.6312	3.1576	3.1576	1.6312
N3	3.7097	2.6231		2.6231	3.1576	1.6312	3.1576	1.6312
N4	2.6231	3.7097	2.6231		3.1576	1.6312	1.6312	3.1576
S5	1.6312	1.6312	3.1576	3.1576		2.7866	2.7602	2.7602
S6	3.1576	3.1576	1.6312	1.6312	2.7866		2.7602	2.7602
S7	1.6312	3.1576	3.1576	1.6312	2.7602	2.7602		2.7866
S8	3.1576	1.6312	1.6312	3.1576	2.7602	2.7602	2.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	107.033	N1	S7	N4	107.033
N2	S8	N3	107.033	N3	S6	N4	107.033
S5	N1	S7	115.568	S5	N2	S8	115.568
S6	N3	S8	115.568	S6	N4	S7	115.568

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

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