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	hartrees
Energy at 0K	-1195.805339
Energy at 298.15K	-1195.808949
HF Energy	-1194.848141
Nuclear repulsion energy	379.533512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3033	18.48
2	A'	3174	3017	3.25
3	A'	1468	1395	40.03
4	A'	1295	1231	0.28
5	A'	1169	1111	120.94
6	A'	1105	1050	41.57
7	A'	829	787	31.43
8	A'	585	556	7.48
9	A'	413	392	16.92
10	A'	356	339	10.39
11	A'	264	251	0.28
12	A"	1419	1349	13.62
13	A"	1313	1248	18.78
14	A"	1165	1107	154.06
15	A"	867	824	128.05
16	A"	409	389	0.97
17	A"	190	180	1.53
18	A"	84	80	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.405	-0.232	0.000
C2	-0.355	1.091	0.000
H3	1.482	-0.060	0.000
H4	-1.432	0.919	0.000
Cl5	-0.007	-1.134	1.463
Cl6	-0.007	-1.134	-1.463
F7	-0.007	1.808	1.093
F8	-0.007	1.808	-1.093

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5256	1.0903	2.1679	1.7678	1.7678	2.3503	2.3503
C2	1.5256		2.1679	1.0903	2.6854	2.6854	1.3527	1.3527
H3	1.0903	2.1679		3.0740	2.3476	2.3476	2.6269	2.6269
H4	2.1679	1.0903	3.0740		2.8960	2.8960	2.0036	2.0036
Cl5	1.7678	2.6854	2.3476	2.8960		2.9268	2.9647	3.8971
Cl6	1.7678	2.6854	2.3476	2.8960	2.9268		3.8971	2.9647
F7	2.3503	1.3527	2.6269	2.0036	2.9647	3.8971		2.1859
F8	2.3503	1.3527	2.6269	2.0036	3.8971	2.9647	2.1859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.845	C1	C2	F7	109.338
C1	C2	F8	109.338	C2	C1	H3	110.845
C2	C1	Cl5	109.031	C2	C1	Cl6	109.031
H3	C1	Cl5	108.095	H3	C1	Cl6	108.095
H4	C2	F7	109.732	H4	C2	F8	109.732
Cl5	C1	Cl6	111.749	F7	C2	F8	107.798

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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