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	hartrees
Energy at 0K	-1294.721979
Energy at 298.15K	-1294.725030
HF Energy	-1293.608214
Nuclear repulsion energy	491.874066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3250	3028	2.82
2	A'	1410	1314	82.15
3	A'	1349	1257	176.25
4	A'	1209	1127	194.93
5	A'	907	845	27.71
6	A'	798	743	10.79
7	A'	685	638	31.88
8	A'	529	493	7.13
9	A'	393	366	1.45
10	A'	275	256	0.44
11	A'	219	204	0.87
12	A"	1321	1230	0.87
13	A"	1269	1183	233.71
14	A"	894	833	104.88
15	A"	565	526	3.95
16	A"	367	341	0.04
17	A"	194	181	1.73
18	A"	84	78	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.574	-0.339	0.000
C2	-0.168	0.999	0.000
H3	1.636	-0.123	0.000
Cl4	0.180	-1.236	1.469
Cl5	0.180	-1.236	-1.469
F6	-1.490	0.836	0.000
F7	0.180	1.703	1.085
F8	0.180	1.703	-1.085

	C1	C2	H3	Cl4	Cl5	F6	F7	F8
C1		1.5300	1.0835	1.7655	1.7655	2.3751	2.3456	2.3456
C2	1.5300		2.1244	2.6971	2.6971	1.3322	1.3392	1.3392
H3	1.0835	2.1244		2.3485	2.3485	3.2698	2.5755	2.5755
Cl4	1.7655	2.6971	2.3485		2.9371	3.0395	2.9638	3.8934
Cl5	1.7655	2.6971	2.3485	2.9371		3.0395	3.8934	2.9638
F6	2.3751	1.3322	3.2698	3.0395	3.0395		2.1717	2.1717
F7	2.3456	1.3392	2.5755	2.9638	3.8934	2.1717		2.1704
F8	2.3456	1.3392	2.5755	3.8934	2.9638	2.1717	2.1704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.971	C1	C2	F7	109.494
C1	C2	F8	109.494	C2	C1	H3	107.524
C2	C1	Cl4	109.642	C2	C1	Cl5	109.642
H3	C1	Cl4	108.664	H3	C1	Cl5	108.664
Cl4	C1	Cl5	112.565	F6	C2	F7	108.770
F6	C2	F8	108.770	F7	C2	F8	108.265

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

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

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: MP3=FULL/6-31+G**

States and conformations

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