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	hartrees
Energy at 0K	-1196.198618
Energy at 298.15K	-1196.202127
HF Energy	-1194.903842
Nuclear repulsion energy	377.552897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3131	2970
2	A	1410	1337
3	A	1300	1233
4	A	1153	1094
5	A	1085	1029
6	A	842	799
7	A	461	438
8	A	312	296
9	A	166	158
10	A	80	76
11	B	3142	2981
12	B	1350	1280
13	B	1236	1173
14	B	1108	1051
15	B	836	793
16	B	436	414
17	B	391	371
18	B	331	314

Atom	x (Å)	y (Å)	z (Å)
C1	-0.223	0.730	0.402
C2	0.223	-0.730	0.402
H3	-1.307	0.812	0.352
H4	1.307	-0.812	0.352
F5	0.223	1.300	1.553
F6	-0.223	-1.300	1.553
Cl7	0.474	1.591	-0.985
Cl8	-0.474	-1.591	-0.985

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5263	1.0879	2.1728	1.3602	2.3337	1.7746	2.7149
C2	1.5263		2.1728	1.0879	2.3337	1.3602	2.7149	1.7746
H3	1.0879	2.1728		3.0773	2.0053	2.6606	2.3589	2.8732
H4	2.1728	1.0879	3.0773		2.6606	2.0053	2.8732	2.3589
F5	1.3602	2.3337	2.0053	2.6606		2.6382	2.5665	3.9095
F6	2.3337	1.3602	2.6606	2.0053	2.6382		3.9095	2.5665
Cl7	1.7746	2.7149	2.3589	2.8732	2.5665	3.9095		3.3203
Cl8	2.7149	1.7746	2.8732	2.3589	3.9095	2.5665	3.3203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.327	C1	C2	F6	107.758
C1	C2	Cl8	110.437	C2	C1	H3	111.327
C2	C1	F5	107.758	C2	C1	Cl7	110.437
H3	C1	F5	109.494	H3	C1	Cl7	108.600
H4	C2	F6	109.494	H4	C2	Cl8	108.600
F5	C1	Cl7	109.198	F6	C2	Cl8	109.198

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

using model chemistry: QCISD(T)/cc-pVTZ

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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