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	hartrees
Energy at 0K	-1811.191444
Energy at 298.15K	-1811.195946
HF Energy	-1810.570641
Nuclear repulsion energy	785.046348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	698	667	0.00
2	A₁	563	538	0.00
3	A₁	181	173	0.00
4	A₂	722	690	0.00
5	A₂	237	227	0.00
6	B₁	714	682	0.00
7	B₁	328	314	0.00
8	B₂	952	910	53.42
9	B₂	542	518	59.20
10	B₂	158	151	0.32
11	E	800	765	2.37
11	E	800	765	2.37
12	E	688	657	74.69
12	E	688	657	74.69
13	E	503	481	9.34
13	E	503	481	9.34
14	E	307	293	13.60
14	E	307	293	13.60

Atom	x (Å)	y (Å)	z (Å)
N1	1.316	1.316	0.000
N2	-1.316	1.316	0.000
N3	-1.316	-1.316	0.000
N4	1.316	-1.316	0.000
S5	0.000	1.399	0.970
S6	0.000	-1.399	0.970
S7	1.399	0.000	-0.970
S8	-1.399	0.000	-0.970

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6319	3.7221	2.6319	1.6370	3.1688	1.6370	3.1688
N2	2.6319		2.6319	3.7221	1.6370	3.1688	3.1688	1.6370
N3	3.7221	2.6319		2.6319	3.1688	1.6370	3.1688	1.6370
N4	2.6319	3.7221	2.6319		3.1688	1.6370	1.6370	3.1688
S5	1.6370	1.6370	3.1688	3.1688		2.7970	2.7707	2.7707
S6	3.1688	3.1688	1.6370	1.6370	2.7970		2.7707	2.7707
S7	1.6370	3.1688	3.1688	1.6370	2.7707	2.7707		2.7970
S8	3.1688	1.6370	1.6370	3.1688	2.7707	2.7707	2.7970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	107.003	N1	S7	N4	107.003
N2	S8	N3	107.003	N3	S6	N4	107.003
S5	N1	S7	115.615	S5	N2	S8	115.615
S6	N3	S8	115.615	S6	N4	S7	115.615

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

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