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	hartrees
Energy at 0K	-1189.800462
Energy at 298.15K	-1189.803931
HF Energy	-1189.065909
Nuclear repulsion energy	374.752619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3204	2.42
2	A'	3184	3184	18.25
3	A'	1480	1480	26.95
4	A'	1314	1314	0.64
5	A'	1144	1144	94.87
6	A'	1068	1068	22.85
7	A'	790	790	27.20
8	A'	549	549	10.78
9	A'	385	385	21.95
10	A'	349	349	11.60
11	A'	255	255	0.04
12	A"	1465	1465	15.47
13	A"	1303	1303	13.06
14	A"	1209	1209	76.13
15	A"	815	815	98.90
16	A"	400	400	2.14
17	A"	177	177	1.93
18	A"	80	80	1.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.407	-0.223	0.000
C2	-0.371	1.099	0.000
H3	1.479	-0.035	0.000
H4	-1.442	0.910	0.000
Cl5	-0.005	-1.144	1.479
Cl6	-0.005	-1.144	-1.479
F7	-0.005	1.821	1.128
F8	-0.005	1.821	-1.128

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5342	1.0879	2.1690	1.7904	1.7904	2.3709	2.3709
C2	1.5342		2.1690	1.0879	2.7115	2.7115	1.3881	1.3881
H3	1.0879	2.1690		3.0695	2.3707	2.3707	2.6297	2.6297
H4	2.1690	1.0879	3.0695		2.9106	2.9106	2.0413	2.0413
Cl5	1.7904	2.7115	2.3707	2.9106		2.9581	2.9859	3.9480
Cl6	1.7904	2.7115	2.3707	2.9106	2.9581		3.9480	2.9859
F7	2.3709	1.3881	2.6297	2.0413	2.9859	3.9480		2.2552
F8	2.3709	1.3881	2.6297	2.0413	3.9480	2.9859	2.2552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.469	C1	C2	F7	108.346
C1	C2	F8	108.346	C2	C1	H3	110.469
C2	C1	Cl5	109.052	C2	C1	Cl6	109.052
H3	C1	Cl5	108.430	H3	C1	Cl6	108.430
H4	C2	F7	110.478	H4	C2	F8	110.478
Cl5	C1	Cl6	111.406	F7	C2	F8	108.655

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

using model chemistry: MP3=FULL/3-21G*

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/3-21G*

States and conformations

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