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	hartrees
Energy at 0K	-1195.124442
Energy at 298.15K	-1195.127680
HF Energy	-1194.576910
Nuclear repulsion energy	362.416986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3175	3059	0.00
2	A_g	1411	1360	0.00
3	A_g	1322	1274	0.00
4	A_g	1143	1101	0.00
5	A_g	1040	1002	0.00
6	A_g	773	745	0.00
7	A_g	489	471	0.00
8	A_g	346	333	0.00
9	A_g	255	246	0.00
10	A_u	3186	3070	3.07
11	A_u	1313	1265	18.52
12	A_u	1258	1212	36.55
13	A_u	1067	1028	158.81
14	A_u	707	682	167.48
15	A_u	367	354	9.32
16	A_u	350	338	38.91
17	A_u	164	158	2.44
18	A_u	73	70	1.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.003	0.000	-1.194
H4	-1.003	0.000	1.194
F5	-0.722	-1.143	-1.206
F6	0.722	1.143	1.206
Cl7	-0.888	1.521	-1.396
Cl8	0.888	-1.521	1.396

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5230	1.0918	2.1975	1.4228	2.3871	1.8715	2.7845
C2	1.5230		2.1975	1.0918	2.3871	1.4228	2.7845	1.8715
H3	1.0918	2.1975		3.1181	2.0685	2.6730	2.4345	3.0051
H4	2.1975	1.0918	3.1181		2.6730	2.0685	3.0051	2.4345
F5	1.4228	2.3871	2.0685	2.6730		3.6229	2.6751	3.0827
F6	2.3871	1.4228	2.6730	2.0685	3.6229		3.0827	2.6751
Cl7	1.8715	2.7845	2.4345	3.0051	2.6751	3.0827		4.4936
Cl8	2.7845	1.8715	3.0051	2.4345	3.0827	2.6751	4.4936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.336	C1	C2	F6	108.212
C1	C2	Cl8	109.803	C2	C1	H3	113.336
C2	C1	F5	108.212	C2	C1	Cl7	109.803
H3	C1	F5	109.998	H3	C1	Cl7	107.546
H4	C2	F6	109.998	H4	C2	Cl8	107.546
F5	C1	Cl7	107.812	F6	C2	Cl8	107.812

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

using model chemistry: QCISD/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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