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	hartrees
Energy at 0K	-1195.886763
Energy at 298.15K	-1195.890348
HF Energy	-1194.876415
Nuclear repulsion energy	376.823435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3176	3031	0.17
2	A	1451	1384	10.36
3	A	1346	1285	17.21
4	A	1168	1115	155.95
5	A	1100	1050	112.14
6	A	862	823	77.30
7	A	471	450	0.49
8	A	318	303	1.43
9	A	171	163	0.69
10	A	82	78	0.64
11	B	3188	3042	11.04
12	B	1396	1332	6.68
13	B	1281	1223	32.14
14	B	1126	1074	26.82
15	B	856	817	94.60
16	B	446	425	14.65
17	B	401	382	8.56
18	B	342	326	11.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.220	0.731	0.398
C2	0.220	-0.731	0.398
H3	-1.303	0.816	0.348
H4	1.303	-0.816	0.348
F5	0.220	1.298	1.553
F6	-0.220	-1.298	1.553
Cl7	0.484	1.602	-0.983
Cl8	-0.484	-1.602	-0.983

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5266	1.0870	2.1716	1.3600	2.3343	1.7784	2.7241
C2	1.5266		2.1716	1.0870	2.3343	1.3600	2.7241	1.7784
H3	1.0870	2.1716		3.0747	2.0011	2.6635	2.3620	2.8796
H4	2.1716	1.0870	3.0747		2.6635	2.0011	2.8796	2.3620
F5	1.3600	2.3343	2.0011	2.6635		2.6322	2.5682	3.9164
F6	2.3343	1.3600	2.6635	2.0011	2.6322		3.9164	2.5682
Cl7	1.7784	2.7241	2.3620	2.8796	2.5682	3.9164		3.3474
Cl8	2.7241	1.7784	2.8796	2.3620	3.9164	2.5682	3.3474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.263	C1	C2	F6	107.790
C1	C2	Cl8	110.795	C2	C1	H3	111.263
C2	C1	F5	107.790	C2	C1	Cl7	110.795
H3	C1	F5	109.216	H3	C1	Cl7	108.631
H4	C2	F6	109.216	H4	C2	Cl8	108.631
F5	C1	Cl7	109.110	F6	C2	Cl8	109.110

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

using model chemistry: CCSD/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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