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	hartrees
Energy at 0K	-1790.335824
Energy at 298.15K	-1790.339502
HF Energy	-1790.335824
Nuclear repulsion energy	758.251858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	757	667	0.00
2	A₁	551	486	0.00
3	A₁	255	225	0.00
4	A₂	628	554	0.00
5	A₂	211	186	0.00
6	B₁	724	639	0.00
7	B₁	330	291	0.00
8	B₂	963	849	1.77
9	B₂	484	427	47.60
10	B₂	239	211	0.21
11	E	824	727	8.35
11	E	824	727	8.35
12	E	690	609	11.36
12	E	690	609	11.36
13	E	473	418	1.78
13	E	473	418	1.78
14	E	200	176	21.64
14	E	200	176	21.64

Atom	x (Å)	y (Å)	z (Å)
N1	1.374	1.374	0.000
N2	-1.374	1.374	0.000
N3	-1.374	-1.374	0.000
N4	1.374	-1.374	0.000
S5	0.000	1.343	1.081
S6	0.000	-1.343	1.081
S7	1.343	0.000	-1.081
S8	-1.343	0.000	-1.081

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.7479	3.8861	2.7479	1.7485	3.2305	1.7485	3.2305
N2	2.7479		2.7479	3.8861	1.7485	3.2305	3.2305	1.7485
N3	3.8861	2.7479		2.7479	3.2305	1.7485	3.2305	1.7485
N4	2.7479	3.8861	2.7479		3.2305	1.7485	1.7485	3.2305
S5	1.7485	1.7485	3.2305	3.2305		2.6852	2.8774	2.8774
S6	3.2305	3.2305	1.7485	1.7485	2.6852		2.8774	2.8774
S7	1.7485	3.2305	3.2305	1.7485	2.8774	2.8774		2.6852
S8	3.2305	1.7485	1.7485	3.2305	2.8774	2.8774	2.6852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	103.586	N1	S7	N4	103.586
N2	S8	N3	103.586	N3	S6	N4	103.586
S5	N1	S7	110.734	S5	N2	S8	110.734
S6	N3	S8	110.734	S6	N4	S7	110.734

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

using model chemistry: PBE1PBE/STO-3G

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	-0.377
2	N	-0.377
3	N	-0.377
4	N	-0.377
5	S	0.377
6	S	0.377
7	S	0.377
8	S	0.377

<r²>	338.168
(<r²>)^1/2	18.389

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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