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	hartrees
Energy at 0K	-1195.038540
Energy at 298.15K	-1195.041970
HF Energy	-1194.577222
Nuclear repulsion energy	367.583375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3277	3065	0.89
2	A	1464	1369	1.49
3	A	1354	1266	24.27
4	A	1188	1111	36.26
5	A	1091	1020	149.61
6	A	820	767	72.84
7	A	441	412	1.37
8	A	309	289	2.01
9	A	164	153	1.39
10	A	78	73	1.24
11	B	3288	3075	2.07
12	B	1385	1296	8.60
13	B	1305	1221	28.34
14	B	1095	1024	12.41
15	B	806	754	115.38
16	B	419	392	20.07
17	B	377	353	13.49
18	B	337	315	18.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	0.718	0.414
C2	0.245	-0.718	0.414
H3	-1.325	0.797	0.396
H4	1.325	-0.797	0.396
F5	0.245	1.314	1.594
F6	-0.245	-1.314	1.594
Cl7	0.432	1.667	-1.013
Cl8	-0.432	-1.667	-1.013

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5162	1.0834	2.1814	1.4095	2.3488	1.8433	2.7856
C2	1.5162		2.1814	1.0834	2.3488	1.4095	2.7856	1.8433
H3	1.0834	2.1814		3.0927	2.0411	2.6566	2.4147	2.9759
H4	2.1814	1.0834	3.0927		2.6566	2.0411	2.9759	2.4147
F5	1.4095	2.3488	2.0411	2.6566		2.6722	2.6379	4.0175
F6	2.3488	1.4095	2.6566	2.0411	2.6722		4.0175	2.6379
Cl7	1.8433	2.7856	2.4147	2.9759	2.6379	4.0175		3.4444
Cl8	2.7856	1.8433	2.9759	2.4147	4.0175	2.6379	3.4444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.047	C1	C2	F6	106.745
C1	C2	Cl8	111.657	C2	C1	H3	113.047
C2	C1	F5	106.745	C2	C1	Cl7	111.657
H3	C1	F5	109.224	H3	C1	Cl7	108.374
H4	C2	F6	109.224	H4	C2	Cl8	108.374
F5	C1	Cl7	107.633	F6	C2	Cl8	107.633

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

using model chemistry: CID/6-31G

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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