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	hartrees
Energy at 0K	-1195.889753
Energy at 298.15K	-1195.893327
HF Energy	-1194.876263
Nuclear repulsion energy	376.580782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3173	3031	0.16
2	A	1447	1382	9.61
3	A	1343	1283	17.42
4	A	1163	1111	145.81
5	A	1095	1046	122.07
6	A	860	821	79.02
7	A	469	448	0.56
8	A	317	303	1.41
9	A	170	163	0.70
10	A	82	78	0.63
11	B	3184	3042	11.36
12	B	1392	1330	6.56
13	B	1279	1222	32.27
14	B	1117	1067	26.42
15	B	853	814	94.73
16	B	444	424	14.53
17	B	399	381	8.48
18	B	341	325	11.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.220	0.731	0.398
C2	0.220	-0.731	0.398
H3	-1.303	0.817	0.348
H4	1.303	-0.817	0.348
F5	0.220	1.298	1.555
F6	-0.220	-1.298	1.555
Cl7	0.484	1.603	-0.984
Cl8	-0.484	-1.603	-0.984

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5271	1.0872	2.1727	1.3617	2.3359	1.7793	2.7252
C2	1.5271		2.1727	1.0872	2.3359	1.3617	2.7252	1.7793
H3	1.0872	2.1727		3.0762	2.0023	2.6654	2.3631	2.8811
H4	2.1727	1.0872	3.0762		2.6654	2.0023	2.8811	2.3631
F5	1.3617	2.3359	2.0023	2.6654		2.6339	2.5702	3.9189
F6	2.3359	1.3617	2.6654	2.0023	2.6339		3.9189	2.5702
Cl7	1.7793	2.7252	2.3631	2.8811	2.5702	3.9189		3.3490
Cl8	2.7252	1.7793	2.8811	2.3631	3.9189	2.5702	3.3490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.308	C1	C2	F6	107.784
C1	C2	Cl8	110.784	C2	C1	H3	111.308
C2	C1	F5	107.784	C2	C1	Cl7	110.784
H3	C1	F5	109.187	H3	C1	Cl7	108.637
H4	C2	F6	109.187	H4	C2	Cl8	108.637
F5	C1	Cl7	109.103	F6	C2	Cl8	109.103

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

using model chemistry: QCISD/TZVP

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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