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	hartrees
Energy at 0K	-736.701842
Energy at 298.15K	-736.706231
HF Energy	-735.880053
Nuclear repulsion energy	244.679533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3025	5.05
2	A'	3096	2932	2.86
3	A'	1481	1403	0.09
4	A'	1433	1358	46.98
5	A'	1279	1212	126.87
6	A'	1159	1098	189.60
7	A'	933	884	97.26
8	A'	691	655	47.91
9	A'	551	522	16.59
10	A'	441	418	0.53
11	A'	308	292	0.90
12	A"	3209	3040	3.37
13	A"	1482	1404	0.92
14	A"	1262	1195	190.07
15	A"	998	946	36.97
16	A"	433	410	0.07
17	A"	338	320	0.52
18	A"	256	242	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.350	-0.002	0.000
C2	-0.815	1.436	0.000
Cl3	1.439	-0.126	0.000
F4	-0.815	-0.655	1.086
F5	-0.815	-0.655	-1.086
H6	-1.918	1.440	0.000
H7	-0.442	1.947	0.900
H8	-0.442	1.947	-0.900

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5112	1.7933	1.3504	1.3504	2.1301	2.1485	2.1485
C2	1.5112		2.7429	2.3564	2.3564	1.1028	1.1004	1.1004
Cl3	1.7933	2.7429		2.5580	2.5580	3.7046	2.9406	2.9406
F4	1.3504	2.3564	2.5580		2.1723	2.6046	2.6351	3.2948
F5	1.3504	2.3564	2.5580	2.1723		2.6046	3.2948	2.6351
H6	2.1301	1.1028	3.7046	2.6046	2.6046		1.8019	1.8019
H7	2.1485	1.1004	2.9406	2.6351	3.2948	1.8019		1.8007
H8	2.1485	1.1004	2.9406	3.2948	2.6351	1.8019	1.8007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.133	C1	C2	H7	109.700
C1	C2	H8	109.700	C2	C1	Cl3	111.924
C2	C1	F4	110.737	C2	C1	F5	110.737
Cl3	C1	F4	108.087	Cl3	C1	F5	108.087
F4	C1	F5	107.091	H6	C2	H7	109.736
H6	C2	H8	109.736	H7	C2	H8	109.810

All results from a given calculation for CH₃CF₂Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: CCSD/cc-pVDZ

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 CH3CF2Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CF₂Cl (1-Chloro-1,1-Difluoroethane)