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	hartrees
Energy at 0K	-1801.510385
Energy at 298.15K
HF Energy	-1801.127947
Nuclear repulsion energy	703.778087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	555	528	0.00
2	A₁	459	437	0.00
3	A₁	122	116	0.00
4	A₂	398	378	0.00
5	A₂	81i	77i	0.00
6	B₁	525	499	0.00
7	B₁	256	244	0.00
8	B₂	755	719	2.45
9	B₂	443	422	60.61
10	B₂	126	120	0.77
11	E	780	743	4.48
11	E	780	743	4.48
12	E	582	554	0.28
12	E	582	554	0.28
13	E	400	381	21.14
13	E	400	381	21.14
14	E	322	307	0.00
14	E	322	307	0.00

Atom	x (Å)	y (Å)	z (Å)
N1	1.475	1.475	0.000
N2	-1.475	1.475	0.000
N3	-1.475	-1.475	0.000
N4	1.475	-1.475	0.000
S5	0.000	1.634	1.008
S6	0.000	-1.634	1.008
S7	1.634	0.000	-1.008
S8	-1.634	0.000	-1.008

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.9498	4.1716	2.9498	1.7935	3.5857	1.7935	3.5857
N2	2.9498		2.9498	4.1716	1.7935	3.5857	3.5857	1.7935
N3	4.1716	2.9498		2.9498	3.5857	1.7935	3.5857	1.7935
N4	2.9498	4.1716	2.9498		3.5857	1.7935	1.7935	3.5857
S5	1.7935	1.7935	3.5857	3.5857		3.2682	3.0668	3.0668
S6	3.5857	3.5857	1.7935	1.7935	3.2682		3.0668	3.0668
S7	1.7935	3.5857	3.5857	1.7935	3.0668	3.0668		3.2682
S8	3.5857	1.7935	1.7935	3.5857	3.0668	3.0668	3.2682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	110.639	N1	S7	N4	110.639
N2	S8	N3	110.639	N3	S6	N4	110.639
S5	N1	S7	117.508	S5	N2	S8	117.508
S6	N3	S8	117.508	S6	N4	S7	117.508

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for S4N4 (Tetrasulfur tetranitride)

using model chemistry: B2PLYP=FULL/3-21G

States and conformations

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