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	hartrees
Energy at 0K	-1802.130546
Energy at 298.15K
HF Energy	-1801.713012
Nuclear repulsion energy	755.709773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	601	601	0.00
2	A₁	564	564	0.00
3	A₁	152	152	0.00
4	A₂	639	639	0.00
5	A₂	176	176	0.00
6	B₁	608	608	0.00
7	B₁	311	311	0.00
8	B₂	918	918	37.34
9	B₂	521	521	83.38
10	B₂	138	138	0.25
11	E	769	769	0.03
11	E	769	769	0.03
12	E	589	589	37.74
12	E	589	589	37.74
13	E	479	479	29.71
13	E	479	479	29.71
14	E	293	293	13.29
14	E	293	293	13.29

Atom	x (Å)	y (Å)	z (Å)
N1	1.357	1.357	0.000
N2	-1.357	1.357	0.000
N3	-1.357	-1.357	0.000
N4	1.357	-1.357	0.000
S5	0.000	1.544	0.937
S6	0.000	-1.544	0.937
S7	1.544	0.000	-0.937
S8	-1.544	0.000	-0.937

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.7130	3.8368	2.7130	1.6593	3.3360	1.6593	3.3360
N2	2.7130		2.7130	3.8368	1.6593	3.3360	3.3360	1.6593
N3	3.8368	2.7130		2.7130	3.3360	1.6593	3.3360	1.6593
N4	2.7130	3.8368	2.7130		3.3360	1.6593	1.6593	3.3360
S5	1.6593	1.6593	3.3360	3.3360		3.0873	2.8773	2.8773
S6	3.3360	3.3360	1.6593	1.6593	3.0873		2.8773	2.8773
S7	1.6593	3.3360	3.3360	1.6593	2.8773	2.8773		3.0873
S8	3.3360	1.6593	1.6593	3.3360	2.8773	2.8773	3.0873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	109.671	N1	S7	N4	109.671
N2	S8	N3	109.671	N3	S6	N4	109.671
S5	N1	S7	120.222	S5	N2	S8	120.222
S6	N3	S8	120.222	S6	N4	S7	120.222

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

using model chemistry: B2PLYP=FULLultrafine/3-21G*

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/3-21G*

States and conformations

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