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	hartrees
Energy at 0K	-1195.692500
Energy at 298.15K	-1195.696112
HF Energy	-1194.741815
Nuclear repulsion energy	379.102243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3025	9.56
2	A'	3234	3013	4.59
3	A'	1478	1376	40.60
4	A'	1303	1214	0.69
5	A'	1188	1106	102.94
6	A'	1111	1035	43.60
7	A'	829	772	30.15
8	A'	578	539	7.65
9	A'	412	384	19.81
10	A'	357	333	10.77
11	A'	260	242	0.19
12	A"	1412	1316	13.80
13	A"	1315	1225	21.65
14	A"	1178	1098	157.92
15	A"	875	815	108.99
16	A"	411	383	0.71
17	A"	188	175	1.38
18	A"	87	81	0.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.407	-0.231	0.000
C2	-0.359	1.085	0.000
H3	1.479	-0.062	0.000
H4	-1.430	0.916	0.000
Cl5	-0.007	-1.134	1.465
Cl6	-0.007	-1.134	-1.465
F7	-0.007	1.810	1.095
F8	-0.007	1.810	-1.095

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5224	1.0847	2.1662	1.7704	1.7704	2.3528	2.3528
C2	1.5224		2.1662	1.0847	2.6824	2.6824	1.3597	1.3597
H3	1.0847	2.1662		3.0692	2.3457	2.3457	2.6288	2.6288
H4	2.1662	1.0847	3.0692		2.8945	2.8945	2.0062	2.0062
Cl5	1.7704	2.6824	2.3457	2.8945		2.9304	2.9678	3.9017
Cl6	1.7704	2.6824	2.3457	2.8945	2.9304		3.9017	2.9678
F7	2.3528	1.3597	2.6288	2.0062	2.9678	3.9017		2.1893
F8	2.3528	1.3597	2.6288	2.0062	3.9017	2.9678	2.1893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.269	C1	C2	F7	109.311
C1	C2	F8	109.311	C2	C1	H3	111.269
C2	C1	Cl5	108.868	C2	C1	Cl6	108.868
H3	C1	Cl5	108.074	H3	C1	Cl6	108.074
H4	C2	F7	109.810	H4	C2	F8	109.810
Cl5	C1	Cl6	111.705	F7	C2	F8	107.238

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31+G**

States and conformations

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