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	hartrees
Energy at 0K	-1195.778798
Energy at 298.15K	-1195.782280
HF Energy	-1194.776080
Nuclear repulsion energy	375.329206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3134	3024
2	A	1402	1353
3	A	1293	1248
4	A	1147	1106
5	A	1080	1042
6	A	840	810
7	A	458	442
8	A	311	300
9	A	166	160
10	A	81	78
11	B	3144	3034
12	B	1341	1294
13	B	1223	1180
14	B	1094	1055
15	B	830	801
16	B	430	415
17	B	388	374
18	B	333	322

Atom	x (Å)	y (Å)	z (Å)
C1	-0.226	0.732	0.403
C2	0.226	-0.732	0.403
H3	-1.325	0.808	0.360
H4	1.325	-0.808	0.360
F5	0.226	1.302	1.564
F6	-0.226	-1.302	1.564
Cl7	0.461	1.605	-0.992
Cl8	-0.461	-1.605	-0.992

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5328	1.1026	2.1863	1.3696	2.3421	1.7834	2.7325
C2	1.5328		2.1863	1.1026	2.3421	1.3696	2.7325	1.7834
H3	1.1026	2.1863		3.1039	2.0245	2.6662	2.3778	2.8980
H4	2.1863	1.1026	3.1039		2.6662	2.0245	2.8980	2.3778
F5	1.3696	2.3421	2.0245	2.6662		2.6426	2.5845	3.9314
F6	2.3421	1.3696	2.6662	2.0245	2.6426		3.9314	2.5845
Cl7	1.7834	2.7325	2.3778	2.8980	2.5845	3.9314		3.3406
Cl8	2.7325	1.7834	2.8980	2.3778	3.9314	2.5845	3.3406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.061	C1	C2	F6	107.462
C1	C2	Cl8	110.746	C2	C1	H3	111.061
C2	C1	F5	107.462	C2	C1	Cl7	110.746
H3	C1	F5	109.482	H3	C1	Cl7	108.656
H4	C2	F6	109.482	H4	C2	Cl8	108.656
F5	C1	Cl7	109.411	F6	C2	Cl8	109.411

All results from a given calculation for CHFClCHFCl (1,2-dichloro-1,2-difluoroethane RR)

using model chemistry: MP4=FULL/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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