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	hartrees
Energy at 0K	-1195.712581
Energy at 298.15K	-1195.716127
HF Energy	-1194.776815
Nuclear repulsion energy	377.033311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3171	3013	0.80
2	A	1414	1344	11.81
3	A	1306	1241	14.50
4	A	1162	1105	126.20
5	A	1096	1042	144.32
6	A	858	816	75.66
7	A	468	445	0.73
8	A	316	300	1.20
9	A	168	160	0.80
10	A	83	79	0.57
11	B	3181	3023	15.61
12	B	1353	1286	5.91
13	B	1236	1175	31.94
14	B	1113	1057	25.06
15	B	850	808	101.23
16	B	437	415	11.31
17	B	395	376	7.76
18	B	338	321	12.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.226	0.730	0.401
C2	0.226	-0.730	0.401
H3	-1.322	0.803	0.359
H4	1.322	-0.803	0.359
F5	0.226	1.299	1.558
F6	-0.226	-1.299	1.558
Cl7	0.456	1.595	-0.988
Cl8	-0.456	-1.595	-0.988

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5282	1.0995	2.1787	1.3657	2.3355	1.7727	2.7184
C2	1.5282		2.1787	1.0995	2.3355	1.3657	2.7184	1.7727
H3	1.0995	2.1787		3.0933	2.0190	2.6565	2.3671	2.8839
H4	2.1787	1.0995	3.0933		2.6565	2.0190	2.8839	2.3671
F5	1.3657	2.3355	2.0190	2.6565		2.6365	2.5732	3.9143
F6	2.3355	1.3657	2.6565	2.0190	2.6365		3.9143	2.5732
Cl7	1.7727	2.7184	2.3671	2.8839	2.5732	3.9143		3.3188
Cl8	2.7184	1.7727	2.8839	2.3671	3.9143	2.5732	3.3188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.969	C1	C2	F6	107.485
C1	C2	Cl8	110.667	C2	C1	H3	110.969
C2	C1	F5	107.485	C2	C1	Cl7	110.667
H3	C1	F5	109.495	H3	C1	Cl7	108.737
H4	C2	F6	109.495	H4	C2	Cl8	108.737
F5	C1	Cl7	109.466	F6	C2	Cl8	109.466

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

using model chemistry: MP2=FULL/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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