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	hartrees
Energy at 0K	-1195.743091
Energy at 298.15K	-1195.746633
HF Energy	-1194.785576
Nuclear repulsion energy	377.001288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3035	17.41
2	A'	3154	3026	8.20
3	A'	1436	1378	50.43
4	A'	1263	1211	1.75
5	A'	1164	1117	103.75
6	A'	1092	1048	40.96
7	A'	808	775	31.92
8	A'	581	558	7.95
9	A'	402	385	15.50
10	A'	346	332	10.71
11	A'	254	243	0.26
12	A"	1396	1339	21.49
13	A"	1249	1198	16.22
14	A"	1180	1132	151.04
15	A"	849	814	114.53
16	A"	402	386	1.13
17	A"	183	176	1.43
18	A"	80	77	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.406	-0.226	0.000
C2	-0.360	1.103	0.000
H3	1.493	-0.051	0.000
H4	-1.447	0.928	0.000
Cl5	-0.006	-1.144	1.474
Cl6	-0.006	-1.144	-1.474
F7	-0.006	1.819	1.095
F8	-0.006	1.819	-1.095

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5336	1.1012	2.1830	1.7850	1.7850	2.3562	2.3562
C2	1.5336		2.1830	1.1012	2.7103	2.7103	1.3557	1.3557
H3	1.1012	2.1830		3.0991	2.3696	2.3696	2.6357	2.6357
H4	2.1830	1.1012	3.0991		2.9229	2.9229	2.0172	2.0172
Cl5	1.7850	2.7103	2.3696	2.9229		2.9490	2.9869	3.9220
Cl6	1.7850	2.7103	2.3696	2.9229	2.9490		3.9220	2.9869
F7	2.3562	1.3557	2.6357	2.0172	2.9869	3.9220		2.1907
F8	2.3562	1.3557	2.6357	2.0172	3.9220	2.9869	2.1907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.834	C1	C2	F7	109.121
C1	C2	F8	109.121	C2	C1	H3	110.834
C2	C1	Cl5	109.281	C2	C1	Cl6	109.281
H3	C1	Cl5	108.024	H3	C1	Cl6	108.024
H4	C2	F7	109.952	H4	C2	F8	109.952
Cl5	C1	Cl6	111.392	F7	C2	F8	107.798

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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