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	hartrees
Energy at 0K	-1803.028885
Energy at 298.15K	-1803.033308
HF Energy	-1803.028885
Nuclear repulsion energy	781.479019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	682	651	0.00
2	A₁	586	560	0.00
3	A₁	185	177	0.00
4	A₂	745	711	0.00
5	A₂	230	220	0.00
6	B₁	681	650	0.00
7	B₁	337	322	0.00
8	B₂	998	953	65.84
9	B₂	557	532	96.31
10	B₂	168	161	0.06
11	E	734	701	4.03
11	E	734	701	4.03
12	E	667	637	90.83
12	E	667	637	90.83
13	E	503	480	22.99
13	E	503	480	22.99
14	E	305	292	36.42
14	E	305	292	36.42

Atom	x (Å)	y (Å)	z (Å)
N1	1.311	1.311	0.000
N2	-1.311	1.311	0.000
N3	-1.311	-1.311	0.000
N4	1.311	-1.311	0.000
S5	0.000	1.434	0.960
S6	0.000	-1.434	0.960
S7	1.434	0.000	-0.960
S8	-1.434	0.000	-0.960

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6225	3.7088	2.6225	1.6299	3.1906	1.6299	3.1906
N2	2.6225		2.6225	3.7088	1.6299	3.1906	3.1906	1.6299
N3	3.7088	2.6225		2.6225	3.1906	1.6299	3.1906	1.6299
N4	2.6225	3.7088	2.6225		3.1906	1.6299	1.6299	3.1906
S5	1.6299	1.6299	3.1906	3.1906		2.8688	2.7933	2.7933
S6	3.1906	3.1906	1.6299	1.6299	2.8688		2.7933	2.7933
S7	1.6299	3.1906	3.1906	1.6299	2.7933	2.7933		2.8688
S8	3.1906	1.6299	1.6299	3.1906	2.7933	2.7933	2.8688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	107.126	N1	S7	N4	107.126
N2	S8	N3	107.126	N3	S6	N4	107.126
S5	N1	S7	117.946	S5	N2	S8	117.946
S6	N3	S8	117.946	S6	N4	S7	117.946

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

using model chemistry: B1B95/3-21G*

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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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	-0.625
2	N	-0.625
3	N	-0.625
4	N	-0.625
5	S	0.625
6	S	0.625
7	S	0.625
8	S	0.625

<r²>	333.186
(<r²>)^1/2	18.253

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

using model chemistry: B1B95/3-21G*

States and conformations

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