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	hartrees
Energy at 0K	-1195.837167
Energy at 298.15K	-1195.840675
HF Energy	-1194.812776
Nuclear repulsion energy	376.013596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3053	8.95
2	A'	3152	3037	3.37
3	A'	1422	1370	36.07
4	A'	1252	1206	1.62
5	A'	1157	1114	79.68
6	A'	1076	1037	52.17
7	A'	802	772	29.85
8	A'	564	544	6.37
9	A'	398	383	16.25
10	A'	344	332	10.09
11	A'	253	243	0.13
12	A"	1361	1311	7.06
13	A"	1243	1198	17.63
14	A"	1127	1086	156.95
15	A"	837	807	108.51
16	A"	399	384	0.84
17	A"	181	175	0.94
18	A"	79	76	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.413	-0.226	0.000
C2	-0.362	1.096	0.000
H3	1.499	-0.059	0.000
H4	-1.448	0.929	0.000
Cl5	-0.007	-1.147	1.474
Cl6	-0.007	-1.147	-1.474
F7	-0.007	1.828	1.100
F8	-0.007	1.828	-1.100

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5320	1.0985	2.1903	1.7885	1.7885	2.3669	2.3669
C2	1.5320		2.1903	1.0985	2.7071	2.7071	1.3679	1.3679
H3	1.0985	2.1903		3.1083	2.3718	2.3718	2.6529	2.6529
H4	2.1903	1.0985	3.1083		2.9256	2.9256	2.0230	2.0230
Cl5	1.7885	2.7071	2.3718	2.9256		2.9487	2.9979	3.9336
Cl6	1.7885	2.7071	2.3718	2.9256	2.9487		3.9336	2.9979
F7	2.3669	1.3679	2.6529	2.0230	2.9979	3.9336		2.1995
F8	2.3669	1.3679	2.6529	2.0230	3.9336	2.9979	2.1995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.683	C1	C2	F7	109.280
C1	C2	F8	109.280	C2	C1	H3	111.683
C2	C1	Cl5	108.983	C2	C1	Cl6	108.983
H3	C1	Cl5	108.081	H3	C1	Cl6	108.081
H4	C2	F7	109.729	H4	C2	F8	109.729
Cl5	C1	Cl6	111.042	F7	C2	F8	107.023

All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)

using model chemistry: CCSD/aug-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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All results from a given calculation for CHCl2CHF2 (1,1-dichloro-2,2-difluoroethane)

using model chemistry: CCSD/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)