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	hartrees
Energy at 0K	-1189.345717
Energy at 298.15K	-1189.348915
HF Energy	-1188.831184
Nuclear repulsion energy	364.898275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3220	3073	1.33
2	A	1447	1381	2.85
3	A	1316	1256	23.12
4	A	1143	1091	125.45
5	A	1063	1014	52.57
6	A	758	723	66.81
7	A	397	379	5.76
8	A	280	267	0.89
9	A	154	147	1.74
10	A	76	72	0.92
11	B	3233	3086	3.21
12	B	1377	1314	2.09
13	B	1259	1202	35.13
14	B	1104	1054	4.48
15	B	735	701	105.27
16	B	396	378	17.27
17	B	346	331	15.61
18	B	313	299	10.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.235	0.723	0.446
C2	0.235	-0.723	0.446
H3	-1.314	0.814	0.358
H4	1.314	-0.814	0.358
F5	0.235	1.324	1.618
F6	-0.235	-1.324	1.618
Cl7	0.517	1.629	-1.035
Cl8	-0.517	-1.629	-1.035

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5200	1.0856	2.1834	1.3991	2.3589	1.8929	2.7939
C2	1.5200		2.1834	1.0856	2.3589	1.3991	2.7939	1.8929
H3	1.0856	2.1834		3.0903	2.0613	2.7059	2.4407	2.9230
H4	2.1834	1.0856	3.0903		2.7059	2.0613	2.9230	2.4407
F5	1.3991	2.3589	2.0613	2.7059		2.6905	2.6857	4.0413
F6	2.3589	1.3991	2.7059	2.0613	2.6905		4.0413	2.6857
Cl7	1.8929	2.7939	2.4407	2.9230	2.6857	4.0413		3.4189
Cl8	2.7939	1.8929	2.9230	2.4407	4.0413	2.6857	3.4189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.790	C1	C2	F6	107.740
C1	C2	Cl8	109.411	C2	C1	H3	112.790
C2	C1	F5	107.740	C2	C1	Cl7	109.411
H3	C1	F5	111.493	H3	C1	Cl7	106.914
H4	C2	F6	111.493	H4	C2	Cl8	106.914
F5	C1	Cl7	108.406	F6	C2	Cl8	108.406

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

using model chemistry: MP2/3-21G

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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