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	hartrees
Energy at 0K	-1196.142027
Energy at 298.15K	-1196.145599
HF Energy	-1194.905494
Nuclear repulsion energy	377.164859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3161	2952	0.00
2	A_g	1446	1351	0.00
3	A_g	1345	1256	0.00
4	A_g	1179	1101	0.00
5	A_g	1125	1050	0.00
6	A_g	862	805	0.00
7	A_g	532	497	0.00
8	A_g	386	360	0.00
9	A_g	276	258	0.00
10	A_u	3173	2962	9.96
11	A_u	1361	1271	19.89
12	A_u	1264	1180	38.07
13	A_u	1182	1104	242.70
14	A_u	813	759	187.81
15	A_u	413	386	3.66
16	A_u	378	353	26.57
17	A_u	176	164	0.91
18	A_u	76	71	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.013	0.000	-1.151
H4	-1.013	0.000	1.151
F5	-0.662	-1.090	-1.202
F6	0.662	1.090	1.202
Cl7	-0.818	1.456	-1.351
Cl8	0.818	-1.456	1.351

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5224	1.0856	2.1640	1.3496	2.3410	1.7715	2.6928
C2	1.5224		2.1640	1.0856	2.3410	1.3496	2.6928	1.7715
H3	1.0856	2.1640		3.0667	1.9998	2.6165	2.3485	2.9012
H4	2.1640	1.0856	3.0667		2.6165	1.9998	2.9012	2.3485
F5	1.3496	2.3410	1.9998	2.6165		3.5051	2.5558	2.9733
F6	2.3410	1.3496	2.6165	1.9998	3.5051		2.9733	2.5558
Cl7	1.7715	2.6928	2.3485	2.9012	2.5558	2.9733		4.2965
Cl8	2.6928	1.7715	2.9012	2.3485	2.9733	2.5558	4.2965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.033	C1	C2	F6	109.045
C1	C2	Cl8	109.439	C2	C1	H3	111.033
C2	C1	F5	109.045	C2	C1	Cl7	109.439
H3	C1	F5	109.934	H3	C1	Cl7	108.159
H4	C2	F6	109.934	H4	C2	Cl8	108.159
F5	C1	Cl7	109.204	F6	C2	Cl8	109.204

All results from a given calculation for CHFClCHClF (ethane, 1,2-dichloro-1,2-difluoro-)

using model chemistry: CCD/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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