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	hartrees
Energy at 0K	-1809.362539
Energy at 298.15K
HF Energy	-1807.787618
Nuclear repulsion energy	810.836832

Atom	x (Å)	y (Å)	z (Å)
N1	1.281	1.281	0.000
N2	-1.281	1.281	0.000
N3	-1.281	-1.281	0.000
N4	1.281	-1.281	0.000
S5	0.000	1.291	0.985
S6	0.000	-1.291	0.985
S7	1.291	0.000	-0.985
S8	-1.291	0.000	-0.985

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5619	3.6231	2.5619	1.6161	3.0379	1.6161	3.0379
N2	2.5619		2.5619	3.6231	1.6161	3.0379	3.0379	1.6161
N3	3.6231	2.5619		2.5619	3.0379	1.6161	3.0379	1.6161
N4	2.5619	3.6231	2.5619		3.0379	1.6161	1.6161	3.0379
S5	1.6161	1.6161	3.0379	3.0379		2.5827	2.6869	2.6869
S6	3.0379	3.0379	1.6161	1.6161	2.5827		2.6869	2.6869
S7	1.6161	3.0379	3.0379	1.6161	2.6869	2.6869		2.5827
S8	3.0379	1.6161	1.6161	3.0379	2.6869	2.6869	2.5827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	104.857	N1	S7	N4	104.857
N2	S8	N3	104.857	N3	S6	N4	104.857
S5	N1	S7	112.456	S5	N2	S8	112.456
S6	N3	S8	112.456	S6	N4	S7	112.456

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

using model chemistry: QCISD/6-311+G(3df,2p)

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: QCISD/6-311+G(3df,2p)

States and conformations

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