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	hartrees
Energy at 0K	-1807.801952
Energy at 298.15K	-1807.807781
HF Energy	-1807.801952
Nuclear repulsion energy	828.489940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	845	770	0.00
2	A₁	649	591	0.00
3	A₁	289	264	0.00
4	A₂	877	798	0.00
5	A₂	345	314	0.00
6	B₁	855	778	0.00
7	B₁	417	379	0.00
8	B₂	1081	984	149.33
9	B₂	642	585	89.94
10	B₂	238	217	2.11
11	E	863	786	74.94
11	E	863	786	74.94
12	E	816	743	102.01
12	E	816	743	102.01
13	E	633	577	0.29
13	E	633	577	0.29
14	E	419	381	43.19
14	E	419	381	43.19

Atom	x (Å)	y (Å)	z (Å)
N1	1.262	1.262	0.000
N2	-1.262	1.262	0.000
N3	-1.262	-1.262	0.000
N4	1.262	-1.262	0.000
S5	0.000	1.227	0.986
S6	0.000	-1.227	0.986
S7	1.227	0.000	-0.986
S8	-1.227	0.000	-0.986

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5244	3.5701	2.5244	1.6021	2.9598	1.6021	2.9598
N2	2.5244		2.5244	3.5701	1.6021	2.9598	2.9598	1.6021
N3	3.5701	2.5244		2.5244	2.9598	1.6021	2.9598	1.6021
N4	2.5244	3.5701	2.5244		2.9598	1.6021	1.6021	2.9598
S5	1.6021	1.6021	2.9598	2.9598		2.4535	2.6266	2.6266
S6	2.9598	2.9598	1.6021	1.6021	2.4535		2.6266	2.6266
S7	1.6021	2.9598	2.9598	1.6021	2.6266	2.6266		2.4535
S8	2.9598	1.6021	1.6021	2.9598	2.6266	2.6266	2.4535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	103.969	N1	S7	N4	103.969
N2	S8	N3	103.969	N3	S6	N4	103.969
S5	N1	S7	110.117	S5	N2	S8	110.117
S6	N3	S8	110.117	S6	N4	S7	110.117

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

using model chemistry: HF/aug-cc-pVTZ

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	-0.770
2	N	-0.770
3	N	-0.770
4	N	-0.770
5	S	0.770
6	S	0.770
7	S	0.770
8	S	0.770

<r²>	294.545
(<r²>)^1/2	17.162

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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