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	hartrees
Energy at 0K	-1195.631475
Energy at 298.15K	-1195.635051
HF Energy	-1194.740808
Nuclear repulsion energy	378.652012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3035	9.22
2	A'	3212	3022	4.73
3	A'	1453	1367	35.05
4	A'	1287	1210	0.24
5	A'	1167	1098	88.29
6	A'	1090	1026	59.14
7	A'	825	776	31.01
8	A'	565	532	6.39
9	A'	407	383	19.24
10	A'	356	335	10.54
11	A'	260	245	0.20
12	A"	1385	1303	9.11
13	A"	1305	1227	21.65
14	A"	1129	1062	168.87
15	A"	866	815	115.97
16	A"	407	383	0.60
17	A"	187	176	1.37
18	A"	87	82	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.409	-0.233	0.000
C2	-0.360	1.081	0.000
H3	1.483	-0.065	0.000
H4	-1.434	0.913	0.000
Cl5	-0.007	-1.134	1.464
Cl6	-0.007	-1.134	-1.464
F7	-0.007	1.812	1.103
F8	-0.007	1.812	-1.103

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5225	1.0878	2.1702	1.7683	1.7683	2.3604	2.3604
C2	1.5225		2.1702	1.0878	2.6784	2.6784	1.3691	1.3691
H3	1.0878	2.1702		3.0770	2.3465	2.3465	2.6379	2.6379
H4	2.1702	1.0878	3.0770		2.8930	2.8930	2.0155	2.0155
Cl5	1.7683	2.6784	2.3465	2.8930		2.9282	2.9679	3.9071
Cl6	1.7683	2.6784	2.3465	2.8930	2.9282		3.9071	2.9679
F7	2.3604	1.3691	2.6379	2.0155	2.9679	3.9071		2.2051
F8	2.3604	1.3691	2.6379	2.0155	3.9071	2.9679	2.2051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.403	C1	C2	F7	109.319
C1	C2	F8	109.319	C2	C1	H3	111.403
C2	C1	Cl5	108.728	C2	C1	Cl6	108.728
H3	C1	Cl5	108.112	H3	C1	Cl6	108.112
H4	C2	F7	109.713	H4	C2	F8	109.713
Cl5	C1	Cl6	111.782	F7	C2	F8	107.281

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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