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	hartrees
Energy at 0K	-1197.032006
Energy at 298.15K	-1197.035490
HF Energy	-1196.650178
Nuclear repulsion energy	377.813398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3143	3143	0.48
2	A	1415	1415	9.21
3	A	1307	1307	11.19
4	A	1158	1158	179.78
5	A	1089	1089	69.34
6	A	837	837	83.75
7	A	459	459	2.14
8	A	314	314	1.22
9	A	164	164	0.52
10	A	79	79	0.61
11	B	3155	3155	10.88
12	B	1363	1363	6.27
13	B	1240	1240	30.77
14	B	1123	1123	19.89
15	B	824	824	102.60
16	B	438	438	10.57
17	B	389	389	6.27
18	B	332	332	10.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.219	0.732	0.397
C2	0.219	-0.732	0.397
H3	-1.302	0.821	0.329
H4	1.302	-0.821	0.329
F5	0.219	1.284	1.549
F6	-0.219	-1.284	1.549
Cl7	0.497	1.598	-0.980
Cl8	-0.497	-1.598	-0.980

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5270	1.0894	2.1743	1.3504	2.3212	1.7775	2.7206
C2	1.5270		2.1743	1.0894	2.3212	1.3504	2.7206	1.7775
H3	1.0894	2.1743		3.0788	2.0038	2.6627	2.3572	2.8662
H4	2.1743	1.0894	3.0788		2.6627	2.0038	2.8662	2.3572
F5	1.3504	2.3212	2.0038	2.6627		2.6040	2.5637	3.9005
F6	2.3212	1.3504	2.6627	2.0038	2.6040		3.9005	2.5637
Cl7	1.7775	2.7206	2.3572	2.8662	2.5637	3.9005		3.3479
Cl8	2.7206	1.7775	2.8662	2.3572	3.9005	2.5637	3.3479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.313	C1	C2	F6	107.390
C1	C2	Cl8	110.608	C2	C1	H3	111.313
C2	C1	F5	107.390	C2	C1	Cl7	110.608
H3	C1	F5	109.973	H3	C1	Cl7	108.212
H4	C2	F6	109.973	H4	C2	Cl8	108.212
F5	C1	Cl7	109.334	F6	C2	Cl8	109.334

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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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