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	hartrees
Energy at 0K	-1195.973452
Energy at 298.15K	-1195.977050
HF Energy	-1194.746540
Nuclear repulsion energy	380.083471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3175	2990	0.62
2	A	1453	1368	10.98
3	A	1339	1261	13.68
4	A	1199	1129	168.31
5	A	1127	1061	74.60
6	A	871	820	66.39
7	A	475	447	0.74
8	A	320	302	1.21
9	A	169	159	0.51
10	A	85	80	0.63
11	B	3187	3001	9.79
12	B	1393	1312	6.43
13	B	1269	1195	28.05
14	B	1165	1097	19.37
15	B	866	815	95.79
16	B	445	419	10.31
17	B	401	378	6.93
18	B	343	323	11.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.221	0.727	0.394
C2	0.221	-0.727	0.394
H3	-1.305	0.803	0.342
H4	1.305	-0.803	0.342
F5	0.221	1.277	1.541
F6	-0.221	-1.277	1.541
Cl7	0.476	1.591	-0.975
Cl8	-0.476	-1.591	-0.975

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5205	1.0877	2.1620	1.3463	2.3095	1.7622	2.7044
C2	1.5205		2.1620	1.0877	2.3095	1.3463	2.7044	1.7622
H3	1.0877	2.1620		3.0646	1.9976	2.6348	2.3502	2.8553
H4	2.1620	1.0877	3.0646		2.6348	1.9976	2.8553	2.3502
F5	1.3463	2.3095	1.9976	2.6348		2.5927	2.5478	3.8782
F6	2.3095	1.3463	2.6348	1.9976	2.5927		3.8782	2.5478
Cl7	1.7622	2.7044	2.3502	2.8553	2.5478	3.8782		3.3211
Cl8	2.7044	1.7622	2.8553	2.3502	3.8782	2.5478	3.3211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.885	C1	C2	F6	107.182
C1	C2	Cl8	110.725	C2	C1	H3	110.885
C2	C1	F5	107.182	C2	C1	Cl7	110.725
H3	C1	F5	109.863	H3	C1	Cl7	108.798
H4	C2	F6	109.863	H4	C2	Cl8	108.798
F5	C1	Cl7	109.368	F6	C2	Cl8	109.368

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

using model chemistry: CCSD=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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