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	hartrees
Energy at 0K	-1294.624373
Energy at 298.15K	-1294.627377
HF Energy	-1293.592952
Nuclear repulsion energy	491.372150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3028	2.40
2	A'	1403	1323	73.22
3	A'	1346	1269	188.51
4	A'	1205	1136	182.40
5	A'	904	853	28.48
6	A'	799	754	11.92
7	A'	681	642	30.12
8	A'	524	494	6.72
9	A'	392	370	1.13
10	A'	274	259	0.50
11	A'	220	207	1.12
12	A"	1325	1249	1.19
13	A"	1268	1196	214.87
14	A"	891	840	116.22
15	A"	561	529	4.01
16	A"	362	342	0.01
17	A"	194	183	1.74
18	A"	81	76	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.571	-0.334	0.000
C2	-0.173	1.004	0.000
H3	1.641	-0.123	0.000
Cl4	0.182	-1.237	1.465
Cl5	0.182	-1.237	-1.465
F6	-1.498	0.833	0.000
F7	0.182	1.703	1.091
F8	0.182	1.703	-1.091

	C1	C2	H3	Cl4	Cl5	F6	F7	F8
C1		1.5315	1.0900	1.7641	1.7641	2.3755	2.3433	2.3433
C2	1.5315		2.1352	2.7006	2.7006	1.3358	1.3430	1.3430
H3	1.0900	2.1352		2.3484	2.3484	3.2806	2.5791	2.5791
Cl4	1.7641	2.7006	2.3484		2.9302	3.0414	2.9628	3.8951
Cl5	1.7641	2.7006	2.3484	2.9302		3.0414	3.8951	2.9628
F6	2.3755	1.3358	3.2806	3.0414	3.0414		2.1832	2.1832
F7	2.3433	1.3430	2.5791	2.9628	3.8951	2.1832		2.1822
F8	2.3433	1.3430	2.5791	3.8951	2.9628	2.1832	2.1822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.712	C1	C2	F7	109.039
C1	C2	F8	109.039	C2	C1	H3	107.891
C2	C1	Cl4	109.859	C2	C1	Cl5	109.859
H3	C1	Cl4	108.407	H3	C1	Cl5	108.407
Cl4	C1	Cl5	112.297	F6	C2	F7	109.168
F6	C2	F8	109.168	F7	C2	F8	108.663

All results from a given calculation for CF₃CHCl₂ (1,1-Dichloro-2,2,2-trifluoroethane)

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 CF3CHCl2 (1,1-Dichloro-2,2,2-trifluoroethane)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for CF₃CHCl₂ (1,1-Dichloro-2,2,2-trifluoroethane)