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	hartrees
Energy at 0K	-1181.360358
Energy at 298.15K	-1181.363407
HF Energy	-1181.197186
Nuclear repulsion energy	365.066788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3389	3013	6.73
2	A'	3369	2995	0.83
3	A'	1490	1325	17.68
4	A'	1324	1177	28.96
5	A'	1198	1065	30.31
6	A'	1095	973	4.60
7	A'	850	756	22.84
8	A'	549	488	9.08
9	A'	390	346	9.55
10	A'	334	297	11.22
11	A'	232	206	2.14
12	A"	1492	1326	13.18
13	A"	1358	1207	29.20
14	A"	1288	1145	13.45
15	A"	977	869	65.00
16	A"	395	351	0.62
17	A"	148	132	0.60
18	A"	40	36	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.407	-0.246	0.000
C2	-0.374	1.160	0.000
H3	1.514	-0.062	0.000
H4	-1.480	0.975	0.000
Cl5	-0.005	-1.185	1.519
Cl6	-0.005	-1.185	-1.519
F7	-0.005	1.884	1.132
F8	-0.005	1.884	-1.132

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.6089	1.1215	2.2482	1.8329	1.8329	2.4472	2.4472
C2	1.6089		2.2482	1.1215	2.8189	2.8189	1.3935	1.3935
H3	1.1215	2.2482		3.1679	2.4240	2.4240	2.7149	2.7149
H4	2.2482	1.1215	3.1679		3.0255	3.0255	2.0696	2.0696
Cl5	1.8329	2.8189	2.4240	3.0255		3.0383	3.0935	4.0559
Cl6	1.8329	2.8189	2.4240	3.0255	3.0383		4.0559	3.0935
F7	2.4472	1.3935	2.7149	2.0696	3.0935	4.0559		2.2645
F8	2.4472	1.3935	2.7149	2.0696	4.0559	3.0935	2.2645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	109.561	C1	C2	F7	108.985
C1	C2	F8	108.985	C2	C1	H3	109.561
C2	C1	Cl5	109.804	C2	C1	Cl6	109.804
H3	C1	Cl5	107.826	H3	C1	Cl6	107.826
H4	C2	F7	110.294	H4	C2	F8	110.294
Cl5	C1	Cl6	111.957	F7	C2	F8	108.691

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

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

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