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	hartrees
Energy at 0K	-1195.663841
Energy at 298.15K	-1195.667463
HF Energy	-1194.729878
Nuclear repulsion energy	379.514571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3245	13.42
2	A'	3234	3234	10.01
3	A'	1492	1492	45.56
4	A'	1311	1311	1.11
5	A'	1198	1198	106.33
6	A'	1127	1127	32.51
7	A'	835	835	30.91
8	A'	583	583	8.04
9	A'	411	411	16.87
10	A'	356	356	11.89
11	A'	263	263	0.27
12	A"	1450	1450	21.62
13	A"	1323	1323	22.93
14	A"	1217	1217	129.41
15	A"	883	883	109.70
16	A"	413	413	0.87
17	A"	189	189	1.46
18	A"	84	84	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.400	-0.228	0.000
C2	-0.360	1.092	0.000
H3	1.470	-0.053	0.000
H4	-1.431	0.917	0.000
Cl5	-0.005	-1.134	1.465
Cl6	-0.005	-1.134	-1.465
F7	-0.005	1.806	1.094
F8	-0.005	1.806	-1.094

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5225	1.0846	2.1590	1.7694	1.7694	2.3446	2.3446
C2	1.5225		2.1590	1.0846	2.6880	2.6880	1.3539	1.3539
H3	1.0846	2.1590		3.0589	2.3431	2.3431	2.6138	2.6138
H4	2.1590	1.0846	3.0589		2.8958	2.8958	2.0046	2.0046
Cl5	1.7694	2.6880	2.3431	2.8958		2.9292	2.9636	3.8977
Cl6	1.7694	2.6880	2.3431	2.8958	2.9292		3.8977	2.9636
F7	2.3446	1.3539	2.6138	2.0046	2.9636	3.8977		2.1878
F8	2.3446	1.3539	2.6138	2.0046	3.8977	2.9636	2.1878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.689	C1	C2	F7	109.060
C1	C2	F8	109.060	C2	C1	H3	110.689
C2	C1	Cl5	109.255	C2	C1	Cl6	109.255
H3	C1	Cl5	107.950	H3	C1	Cl6	107.950
H4	C2	F7	110.089	H4	C2	F8	110.089
Cl5	C1	Cl6	111.736	F7	C2	F8	107.795

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

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

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/6-31G**

States and conformations

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