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	hartrees
Energy at 0K	-1810.951627
Energy at 298.15K
HF Energy	-1810.436734
Nuclear repulsion energy	769.231865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	670	645	0.00
2	A₁	546	526	0.00
3	A₁	175	168	0.00
4	A₂	653	629	0.00
5	A₂	214	206	0.00
6	B₁	675	650	0.00
7	B₁	314	302	0.00
8	B₂	906	872	30.63
9	B₂	518	498	54.90
10	B₂	154	149	0.27
11	E	775	746	1.69
11	E	775	746	1.69
12	E	651	627	67.53
12	E	651	627	67.53
13	E	481	463	8.50
13	E	481	463	8.50
14	E	273	263	9.82
14	E	273	263	9.82

Atom	x (Å)	y (Å)	z (Å)
N1	1.344	1.344	0.000
N2	-1.344	1.344	0.000
N3	-1.344	-1.344	0.000
N4	1.344	-1.344	0.000
S5	0.000	1.431	0.986
S6	0.000	-1.431	0.986
S7	1.431	0.000	-0.986
S8	-1.431	0.000	-0.986

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6872	3.8003	2.6872	1.6689	3.2369	1.6689	3.2369
N2	2.6872		2.6872	3.8003	1.6689	3.2369	3.2369	1.6689
N3	3.8003	2.6872		2.6872	3.2369	1.6689	3.2369	1.6689
N4	2.6872	3.8003	2.6872		3.2369	1.6689	1.6689	3.2369
S5	1.6689	1.6689	3.2369	3.2369		2.8626	2.8260	2.8260
S6	3.2369	3.2369	1.6689	1.6689	2.8626		2.8260	2.8260
S7	1.6689	3.2369	3.2369	1.6689	2.8260	2.8260		2.8626
S8	3.2369	1.6689	1.6689	3.2369	2.8260	2.8260	2.8626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	107.239	N1	S7	N4	107.239
N2	S8	N3	107.239	N3	S6	N4	107.239
S5	N1	S7	115.702	S5	N2	S8	115.702
S6	N3	S8	115.702	S6	N4	S7	115.702

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

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