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	hartrees
Energy at 0K	-1195.742034
Energy at 298.15K	-1195.745605
HF Energy	-1194.777306
Nuclear repulsion energy	376.822443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3185	2995	0.83
2	A	1436	1350	16.68
3	A	1319	1241	14.58
4	A	1182	1112	178.49
5	A	1112	1046	94.20
6	A	861	809	66.95
7	A	470	442	0.53
8	A	319	299	1.34
9	A	168	158	0.79
10	A	82	77	0.65
11	B	3195	3004	14.96
12	B	1369	1288	6.00
13	B	1246	1172	33.29
14	B	1148	1080	28.05
15	B	857	805	100.70
16	B	440	414	12.23
17	B	399	375	8.10
18	B	340	320	12.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.225	0.732	0.402
C2	0.225	-0.732	0.402
H3	-1.320	0.806	0.359
H4	1.320	-0.806	0.359
F5	0.225	1.296	1.554
F6	-0.225	-1.296	1.554
Cl7	0.459	1.605	-0.986
Cl8	-0.459	-1.605	-0.986

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5307	1.0982	2.1797	1.3590	2.3316	1.7769	2.7278
C2	1.5307		2.1797	1.0982	2.3316	1.3590	2.7278	1.7769
H3	1.0982	2.1797		3.0926	2.0132	2.6538	2.3691	2.8916
H4	2.1797	1.0982	3.0926		2.6538	2.0132	2.8916	2.3691
F5	1.3590	2.3316	2.0132	2.6538		2.6302	2.5690	3.9157
F6	2.3316	1.3590	2.6538	2.0132	2.6302		3.9157	2.5690
Cl7	1.7769	2.7278	2.3691	2.8916	2.5690	3.9157		3.3392
Cl8	2.7278	1.7769	2.8916	2.3691	3.9157	2.5690	3.3392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.952	C1	C2	F6	107.433
C1	C2	Cl8	110.901	C2	C1	H3	110.952
C2	C1	F5	107.433	C2	C1	Cl7	110.901
H3	C1	F5	109.575	H3	C1	Cl7	108.666
H4	C2	F6	109.575	H4	C2	Cl8	108.666
F5	C1	Cl7	109.290	F6	C2	Cl8	109.290

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

using model chemistry: MP3=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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