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	hartrees
Energy at 0K	-1195.691072
Energy at 298.15K	-1195.694611
HF Energy	-1194.776691
Nuclear repulsion energy	376.722347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3166	3016	0.80
2	A	1412	1345	11.75
3	A	1305	1243	14.71
4	A	1160	1105	128.55
5	A	1095	1043	141.85
6	A	857	817	76.26
7	A	468	445	0.74
8	A	315	300	1.20
9	A	168	160	0.80
10	A	83	79	0.57
11	B	3176	3025	15.66
12	B	1351	1287	6.00
13	B	1235	1177	32.03
14	B	1112	1059	25.13
15	B	849	809	101.71
16	B	436	415	11.42
17	B	395	376	7.73
18	B	338	322	12.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.226	0.731	0.401
C2	0.226	-0.731	0.401
H3	-1.323	0.805	0.359
H4	1.323	-0.805	0.359
F5	0.226	1.300	1.559
F6	-0.226	-1.300	1.559
Cl7	0.458	1.597	-0.988
Cl8	-0.458	-1.597	-0.988

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5296	1.1004	2.1810	1.3664	2.3371	1.7744	2.7210
C2	1.5296		2.1810	1.1004	2.3371	1.3664	2.7210	1.7744
H3	1.1004	2.1810		3.0964	2.0203	2.6592	2.3691	2.8865
H4	2.1810	1.1004	3.0964		2.6592	2.0203	2.8865	2.3691
F5	1.3664	2.3371	2.0203	2.6592		2.6379	2.5750	3.9173
F6	2.3371	1.3664	2.6592	2.0203	2.6379		3.9173	2.5750
Cl7	1.7744	2.7210	2.3691	2.8865	2.5750	3.9173		3.3228
Cl8	2.7210	1.7744	2.8865	2.3691	3.9173	2.5750	3.3228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.994	C1	C2	F6	107.476
C1	C2	Cl8	110.665	C2	C1	H3	110.994
C2	C1	F5	107.476	C2	C1	Cl7	110.665
H3	C1	F5	109.502	H3	C1	Cl7	108.726
H4	C2	F6	109.502	H4	C2	Cl8	108.726
F5	C1	Cl7	109.457	F6	C2	Cl8	109.457

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

using model chemistry: MP2/cc-pVDZ

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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