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	hartrees
Energy at 0K	-1917.464857
Energy at 298.15K
HF Energy	-1917.188600
Nuclear repulsion energy	518.692425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	3198	3034	0.00	113.01	0.27	0.42
2	A_g	1381	1310	0.00	8.57	0.66	0.79
3	A_g	1064	1009	0.00	4.28	0.48	0.65
4	A_g	787	747	0.00	23.62	0.10	0.19
5	A_g	374	354	0.00	13.58	0.25	0.40
6	A_g	233	221	0.00	2.84	0.73	0.84
7	A_u	1281	1215	38.50	0.00	0.00	0.00
8	A_u	774	734	208.26	0.00	0.00	0.00
9	A_u	172	163	0.59	0.00	0.00	0.00
10	A_u	58	55	0.12	0.00	0.00	0.00
11	B_g	1290	1224	0.00	13.53	0.75	0.86
12	B_g	830	788	0.00	19.76	0.75	0.86
13	B_g	302	286	0.00	5.88	0.75	0.86
14	B_u	3210	3045	2.43	0.00	0.41	0.58
15	B_u	1246	1182	15.76	0.00	0.49	0.00
16	B_u	731	694	67.26	0.00	0.00	0.00
17	B_u	327	310	15.00	0.00	0.50	0.00
18	B_u	304	288	1.14	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.272	0.719	0.000
C2	0.272	-0.719	0.000
H3	-1.359	0.712	0.000
H4	1.359	-0.712	0.000
Cl5	0.272	1.590	1.460
Cl6	0.272	1.590	-1.460
Cl7	-0.272	-1.590	1.460
Cl8	-0.272	-1.590	-1.460

	C1	C2	H3	H4	Cl5	Cl6	Cl7	Cl8
C1		1.5365	1.0874	2.1693	1.7852	1.7852	2.7314	2.7314
C2	1.5365		2.1693	1.0874	2.7314	2.7314	1.7852	1.7852
H3	1.0874	2.1693		3.0685	2.3587	2.3587	2.9346	2.9346
H4	2.1693	1.0874	3.0685		2.9346	2.9346	2.3587	2.3587
Cl5	1.7852	2.7314	2.3587	2.9346		2.9203	3.2258	4.3513
Cl6	1.7852	2.7314	2.3587	2.9346	2.9203		4.3513	3.2258
Cl7	2.7314	1.7852	2.9346	2.3587	3.2258	4.3513		2.9203
Cl8	2.7314	1.7852	2.9346	2.3587	4.3513	3.2258	2.9203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.364	C1	C2	Cl7	110.409
C1	C2	Cl8	110.409	C2	C1	H3	110.364
C2	C1	Cl5	110.409	C2	C1	Cl6	110.409
H3	C1	Cl5	107.915	H3	C1	Cl6	107.915
H4	C2	Cl7	107.915	H4	C2	Cl8	107.915
Cl5	C1	Cl6	109.760	Cl7	C2	Cl8	109.760

All results from a given calculation for CHCl₂CHCl₂ (Ethane, 1,1,2,2-tetrachloro-)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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	-0.315
2	C	-0.315
3	H	0.267
4	H	0.267
5	Cl	0.024
6	Cl	0.024
7	Cl	0.024
8	Cl	0.024

	x	y	z
x	5.863	0.973	0.000
y	0.973	9.131	0.000
z	0.000	0.000	11.402

<r²>	373.275
(<r²>)^1/2	19.320

All results from a given calculation for CHCl2CHCl2 (Ethane, 1,1,2,2-tetrachloro-)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

All results from a given calculation for CHCl₂CHCl₂ (Ethane, 1,1,2,2-tetrachloro-)