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	hartrees
Energy at 0K	-1878.971834
Energy at 298.15K	-1878.972438
HF Energy	-1878.971834
Nuclear repulsion energy	437.640523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	469	449	0.00	16.12	0.00	0.00
2	E	222	213	0.00	4.68	0.75	0.86
2	E	222	213	0.00	4.68	0.75	0.86
3	T₂	790	757	198.35	1.39	0.75	0.86
3	T₂	790	757	198.35	1.39	0.75	0.86
3	T₂	790	757	198.35	1.39	0.75	0.86
4	T₂	321	307	0.11	5.75	0.75	0.86
4	T₂	321	307	0.11	5.75	0.75	0.86
4	T₂	321	307	0.11	5.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
Cl2	1.026	1.026	1.026
Cl3	-1.026	-1.026	1.026
Cl4	-1.026	1.026	-1.026
Cl5	1.026	-1.026	-1.026

	C1	Cl2	Cl3	Cl4	Cl5
C1		1.7773	1.7773	1.7773	1.7773
Cl2	1.7773		2.9023	2.9023	2.9023
Cl3	1.7773	2.9023		2.9023	2.9023
Cl4	1.7773	2.9023	2.9023		2.9023
Cl5	1.7773	2.9023	2.9023	2.9023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.471	Cl2	C1	Cl4	109.471
Cl2	C1	Cl5	109.471	Cl3	C1	Cl4	109.471
Cl3	C1	Cl5	109.471	Cl4	C1	Cl5	109.471

All results from a given calculation for CCl₄ (Carbon tetrachloride)

using model chemistry: mPW1PW91/cc-pVDZ

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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Number	Element	Mulliken
1	C	-0.304
2	Cl	0.076
3	Cl	0.076
4	Cl	0.076
5	Cl	0.076

<r²>	248.713
(<r²>)^1/2	15.771

All results from a given calculation for CCl4 (Carbon tetrachloride)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for CCl₄ (Carbon tetrachloride)