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	hartrees
Energy at 0K	-1195.978837
Energy at 298.15K	-1195.982455
HF Energy	-1194.848232
Nuclear repulsion energy	379.868665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3026	18.35
2	A'	3177	3009	3.28
3	A'	1469	1392	40.36
4	A'	1296	1228	0.33
5	A'	1172	1110	118.94
6	A'	1107	1048	42.85
7	A'	830	787	31.12
8	A'	586	555	7.43
9	A'	413	392	16.69
10	A'	356	337	10.49
11	A'	265	251	0.28
12	A"	1419	1344	13.73
13	A"	1312	1243	18.56
14	A"	1167	1105	153.82
15	A"	871	825	126.53
16	A"	410	389	0.93
17	A"	190	180	1.54
18	A"	84	80	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.405	-0.231	0.000
C2	-0.354	1.089	0.000
H3	1.481	-0.059	0.000
H4	-1.431	0.917	0.000
Cl5	-0.007	-1.133	1.462
Cl6	-0.007	-1.133	-1.462
F7	-0.007	1.806	1.092
F8	-0.007	1.806	-1.092

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5234	1.0899	2.1655	1.7663	1.7663	2.3480	2.3480
C2	1.5234		2.1655	1.0899	2.6826	2.6826	1.3518	1.3518
H3	1.0899	2.1655		3.0714	2.3462	2.3462	2.6242	2.6242
H4	2.1655	1.0899	3.0714		2.8928	2.8928	2.0025	2.0025
Cl5	1.7663	2.6826	2.3462	2.8928		2.9241	2.9620	3.8937
Cl6	1.7663	2.6826	2.3462	2.8928	2.9241		3.8937	2.9620
F7	2.3480	1.3518	2.6242	2.0025	2.9620	3.8937		2.1844
F8	2.3480	1.3518	2.6242	2.0025	3.8937	2.9620	2.1844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.821	C1	C2	F7	109.354
C1	C2	F8	109.354	C2	C1	H3	110.821
C2	C1	Cl5	109.038	C2	C1	Cl6	109.038
H3	C1	Cl5	108.107	H3	C1	Cl6	108.107
H4	C2	F7	109.729	H4	C2	F8	109.729
Cl5	C1	Cl6	111.733	F7	C2	F8	107.797

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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