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	hartrees
Energy at 0K	-1190.895314
Energy at 298.15K	-1190.898488
HF Energy	-1190.717804
Nuclear repulsion energy	366.335687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3210	3056	0.98
2	A	1434	1365	3.56
3	A	1297	1235	19.52
4	A	1144	1089	144.24
5	A	1058	1007	53.06
6	A	748	712	76.38
7	A	397	378	7.82
8	A	277	264	0.86
9	A	153	146	1.82
10	A	75	72	0.87
11	B	3224	3069	2.80
12	B	1363	1298	1.55
13	B	1241	1182	34.76
14	B	1103	1050	6.13
15	B	722	687	114.68
16	B	397	377	18.31
17	B	344	328	14.81
18	B	311	296	9.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.232	0.722	0.448
C2	0.232	-0.722	0.448
H3	-1.306	0.819	0.344
H4	1.306	-0.819	0.344
F5	0.232	1.324	1.613
F6	-0.232	-1.324	1.613
Cl7	0.538	1.609	-1.032
Cl8	-0.538	-1.609	-1.032

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5169	1.0841	2.1800	1.3901	2.3541	1.8897	2.7789
C2	1.5169		2.1800	1.0841	2.3541	1.3901	2.7789	1.8897
H3	1.0841	2.1800		3.0841	2.0562	2.7122	2.4333	2.8956
H4	2.1800	1.0841	3.0841		2.7122	2.0562	2.8956	2.4333
F5	1.3901	2.3541	2.0562	2.7122		2.6873	2.6781	4.0238
F6	2.3541	1.3901	2.7122	2.0562	2.6873		4.0238	2.6781
Cl7	1.8897	2.7789	2.4333	2.8956	2.6781	4.0238		3.3939
Cl8	2.7789	1.8897	2.8956	2.4333	4.0238	2.6781	3.3939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.828	C1	C2	F6	108.073
C1	C2	Cl8	108.829	C2	C1	H3	112.828
C2	C1	F5	108.073	C2	C1	Cl7	108.829
H3	C1	F5	111.817	H3	C1	Cl7	106.660
H4	C2	F6	111.817	H4	C2	Cl8	106.660
F5	C1	Cl7	108.520	F6	C2	Cl8	108.520

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

using model chemistry: B2PLYP=FULL/3-21G

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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