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	hartrees
Energy at 0K	-1195.757620
Energy at 298.15K	-1195.761080
HF Energy	-1194.777365
Nuclear repulsion energy	373.589921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3132	2985
2	A_g	1408	1342
3	A_g	1311	1249
4	A_g	1147	1093
5	A_g	1092	1040
6	A_g	835	796
7	A_g	516	492
8	A_g	375	357
9	A_g	271	259
10	A_u	3142	2994
11	A_u	1322	1260
12	A_u	1228	1170
13	A_u	1139	1085
14	A_u	782	746
15	A_u	401	382
16	A_u	365	348
17	A_u	172	164
18	A_u	73	70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.767
C2	0.000	0.000	0.767
H3	1.030	0.000	-1.160
H4	-1.030	0.000	1.160
F5	-0.671	-1.102	-1.211
F6	0.671	1.102	1.211
Cl7	-0.822	1.476	-1.358
Cl8	0.822	-1.476	1.358

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5334	1.1028	2.1852	1.3644	2.3612	1.7893	2.7139
C2	1.5334		2.1852	1.1028	2.3612	1.3644	2.7139	1.7893
H3	1.1028	2.1852		3.1035	2.0276	2.6393	2.3760	2.9260
H4	2.1852	1.1028	3.1035		2.6393	2.0276	2.9260	2.3760
F5	1.3644	2.3612	2.0276	2.6393		3.5387	2.5857	2.9943
F6	2.3612	1.3644	2.6393	2.0276	3.5387		2.9943	2.5857
Cl7	1.7893	2.7139	2.3760	2.9260	2.5857	2.9943		4.3338
Cl8	2.7139	1.7893	2.9260	2.3760	2.9943	2.5857	4.3338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.918	C1	C2	F6	109.000
C1	C2	Cl8	109.283	C2	C1	H3	110.918
C2	C1	F5	109.000	C2	C1	Cl7	109.283
H3	C1	F5	110.081	H3	C1	Cl7	108.122
H4	C2	F6	110.081	H4	C2	Cl8	108.122
F5	C1	Cl7	109.414	F6	C2	Cl8	109.414

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

using model chemistry: QCISD(T)/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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