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	hartrees
Energy at 0K	-1196.684730
Energy at 298.15K
HF Energy	-1196.506946
Nuclear repulsion energy	366.204968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3219	3219	0.64
2	A	1414	1414	1.00
3	A	1308	1308	19.07
4	A	1144	1144	28.70
5	A	1037	1037	161.58
6	A	780	780	85.84
7	A	420	420	3.55
8	A	296	296	1.73
9	A	158	158	1.38
10	A	75	75	0.98
11	B	3231	3231	2.56
12	B	1344	1344	6.17
13	B	1259	1259	28.18
14	B	1034	1034	13.08
15	B	757	757	114.69
16	B	406	406	18.54
17	B	358	358	12.73
18	B	322	322	14.53

Atom	x (Å)	y (Å)	z (Å)
C1	-0.242	0.718	0.420
C2	0.242	-0.718	0.420
H3	-1.323	0.809	0.383
H4	1.323	-0.809	0.383
F5	0.242	1.317	1.606
F6	-0.242	-1.317	1.606
Cl7	0.458	1.659	-1.021
Cl8	-0.458	-1.659	-1.021

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5160	1.0858	2.1867	1.4142	2.3562	1.8573	2.7884
C2	1.5160		2.1867	1.0858	2.3562	1.4142	2.7884	1.8573
H3	1.0858	2.1867		3.1012	2.0499	2.6802	2.4224	2.9683
H4	2.1867	1.0858	3.1012		2.6802	2.0499	2.9683	2.4224
F5	1.4142	2.3562	2.0499	2.6802		2.6784	2.6581	4.0311
F6	2.3562	1.4142	2.6802	2.0499	2.6784		4.0311	2.6581
Cl7	1.8573	2.7884	2.4224	2.9683	2.6581	4.0311		3.4423
Cl8	2.7884	1.8573	2.9683	2.4224	4.0311	2.6581	3.4423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.346	C1	C2	F6	106.998
C1	C2	Cl8	111.096	C2	C1	H3	113.346
C2	C1	F5	106.998	C2	C1	Cl7	111.096
H3	C1	F5	109.465	H3	C1	Cl7	107.894
H4	C2	F6	109.465	H4	C2	Cl8	107.894
F5	C1	Cl7	107.912	F6	C2	Cl8	107.912

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

using model chemistry: B2PLYP=FULLultrafine/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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