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	hartrees
Energy at 0K	-1811.540709
Energy at 298.15K	-1811.545588
HF Energy	-1811.540709
Nuclear repulsion energy	799.933012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	743	715	0.00
2	A₁	580	557	0.00
3	A₁	215	207	0.00
4	A₂	760	731	0.00
5	A₂	270	259	0.00
6	B₁	757	728	0.00
7	B₁	350	336	0.00
8	B₂	981	944	71.80
9	B₂	565	543	62.45
10	B₂	181	174	0.67
11	E	793	763	3.17
11	E	793	763	3.17
12	E	730	702	99.83
12	E	730	702	99.83
13	E	530	510	5.29
13	E	530	510	5.29
14	E	336	323	20.07
14	E	336	323	20.07

Atom	x (Å)	y (Å)	z (Å)
N1	1.298	1.298	0.000
N2	-1.298	1.298	0.000
N3	-1.298	-1.298	0.000
N4	1.298	-1.298	0.000
S5	0.000	1.332	0.980
S6	0.000	-1.332	0.980
S7	1.332	0.000	-0.980
S8	-1.332	0.000	-0.980

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.5962	3.6715	2.5962	1.6267	3.0923	1.6267	3.0923
N2	2.5962		2.5962	3.6715	1.6267	3.0923	3.0923	1.6267
N3	3.6715	2.5962		2.5962	3.0923	1.6267	3.0923	1.6267
N4	2.5962	3.6715	2.5962		3.0923	1.6267	1.6267	3.0923
S5	1.6267	1.6267	3.0923	3.0923		2.6640	2.7182	2.7182
S6	3.0923	3.0923	1.6267	1.6267	2.6640		2.7182	2.7182
S7	1.6267	3.0923	3.0923	1.6267	2.7182	2.7182		2.6640
S8	3.0923	1.6267	1.6267	3.0923	2.7182	2.7182	2.6640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	105.875	N1	S7	N4	105.875
N2	S8	N3	105.875	N3	S6	N4	105.875
S5	N1	S7	113.334	S5	N2	S8	113.334
S6	N3	S8	113.334	S6	N4	S7	113.334

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

using model chemistry: B3PW91/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	-0.383
2	N	-0.383
3	N	-0.383
4	N	-0.383
5	S	0.383
6	S	0.383
7	S	0.383
8	S	0.383

<r²>	314.957
(<r²>)^1/2	17.747

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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