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	hartrees
Energy at 0K	-1195.586771
Energy at 298.15K	-1195.590350
HF Energy	-1194.725685
Nuclear repulsion energy	378.982472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3024	8.95
2	A'	3195	3013	12.76
3	A'	1470	1386	39.10
4	A'	1296	1222	0.41
5	A'	1177	1110	95.20
6	A'	1115	1051	41.99
7	A'	832	784	32.34
8	A'	572	539	7.21
9	A'	407	384	17.05
10	A'	357	336	11.47
11	A'	262	247	0.28
12	A"	1429	1348	16.44
13	A"	1320	1244	21.98
14	A"	1178	1111	134.76
15	A"	873	823	118.53
16	A"	409	385	0.88
17	A"	188	177	1.42
18	A"	86	81	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.401	-0.229	0.000
C2	-0.362	1.089	0.000
H3	1.478	-0.054	0.000
H4	-1.439	0.915	0.000
Cl5	-0.005	-1.134	1.464
Cl6	-0.005	-1.134	-1.464
F7	-0.005	1.808	1.101
F8	-0.005	1.808	-1.101

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5236	1.0910	2.1670	1.7686	1.7686	2.3505	2.3505
C2	1.5236		2.1670	1.0910	2.6860	2.6860	1.3620	1.3620
H3	1.0910	2.1670		3.0742	2.3474	2.3474	2.6229	2.6229
H4	2.1670	1.0910	3.0742		2.8977	2.8977	2.0162	2.0162
Cl5	1.7686	2.6860	2.3474	2.8977		2.9278	2.9640	3.9028
Cl6	1.7686	2.6860	2.3474	2.8977	2.9278		3.9028	2.9640
F7	2.3505	1.3620	2.6229	2.0162	2.9640	3.9028		2.2019
F8	2.3505	1.3620	2.6229	2.0162	3.9028	2.9640	2.2019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.866	C1	C2	F7	108.959
C1	C2	F8	108.959	C2	C1	H3	110.866
C2	C1	Cl5	109.123	C2	C1	Cl6	109.123
H3	C1	Cl5	107.999	H3	C1	Cl6	107.999
H4	C2	F7	110.064	H4	C2	F8	110.064
Cl5	C1	Cl6	111.734	F7	C2	F8	107.864

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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