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	hartrees
Energy at 0K	-1195.735519
Energy at 298.15K	-1195.739026
HF Energy	-1194.777883
Nuclear repulsion energy	374.282429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3155	3027	0.00
2	A_g	1425	1367	0.00
3	A_g	1325	1272	0.00
4	A_g	1162	1115	0.00
5	A_g	1107	1062	0.00
6	A_g	848	813	0.00
7	A_g	522	501	0.00
8	A_g	380	364	0.00
9	A_g	274	263	0.00
10	A_u	3164	3036	17.04
11	A_u	1335	1281	29.33
12	A_u	1242	1192	43.29
13	A_u	1155	1108	258.16
14	A_u	795	763	190.17
15	A_u	406	390	3.25
16	A_u	370	355	28.85
17	A_u	174	167	1.38
18	A_u	75	72	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
C2	0.000	0.000	0.765
H3	1.028	0.000	-1.158
H4	-1.028	0.000	1.158
F5	-0.669	-1.100	-1.208
F6	0.669	1.100	1.208
Cl7	-0.821	1.470	-1.358
Cl8	0.821	-1.470	1.358

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5309	1.1009	2.1815	1.3616	2.3566	1.7853	2.7104
C2	1.5309		2.1815	1.1009	2.3566	1.3616	2.7104	1.7853
H3	1.1009	2.1815		3.0981	2.0233	2.6346	2.3711	2.9222
H4	2.1815	1.1009	3.0981		2.6346	2.0233	2.9222	2.3711
F5	1.3616	2.3566	2.0233	2.6346		3.5316	2.5793	2.9909
F6	2.3566	1.3616	2.6346	2.0233	3.5316		2.9909	2.5793
Cl7	1.7853	2.7104	2.3711	2.9222	2.5793	2.9909		4.3271
Cl8	2.7104	1.7853	2.9222	2.3711	2.9909	2.5793	4.3271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.919	C1	C2	F6	108.983
C1	C2	Cl8	109.396	C2	C1	H3	110.919
C2	C1	F5	108.983	C2	C1	Cl7	109.396
H3	C1	F5	110.047	H3	C1	Cl7	108.121
H4	C2	F6	110.047	H4	C2	Cl8	108.121
F5	C1	Cl7	109.352	F6	C2	Cl8	109.352

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

using model chemistry: QCISD/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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