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	hartrees
Energy at 0K	-736.703887
Energy at 298.15K	-736.708266
HF Energy	-735.879910
Nuclear repulsion energy	244.514217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3061	5.28
2	A'	3093	2968	3.00
3	A'	1480	1420	0.11
4	A'	1432	1374	45.65
5	A'	1275	1223	125.61
6	A'	1157	1110	188.26
7	A'	930	892	99.84
8	A'	689	661	48.59
9	A'	549	527	16.40
10	A'	440	422	0.58
11	A'	307	295	0.86
12	A"	3206	3076	3.56
13	A"	1481	1421	0.99
14	A"	1257	1206	188.19
15	A"	996	955	38.59
16	A"	432	414	0.07
17	A"	337	323	0.51
18	A"	256	245	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.350	-0.002	0.000
C2	-0.816	1.436	0.000
Cl3	1.440	-0.126	0.000
F4	-0.816	-0.656	1.087
F5	-0.816	-0.656	-1.087
H6	-1.919	1.440	0.000
H7	-0.443	1.947	0.900
H8	-0.443	1.947	-0.900

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5115	1.7947	1.3517	1.3517	2.1307	2.1488	2.1488
C2	1.5115		2.7442	2.3577	2.3577	1.1030	1.1006	1.1006
Cl3	1.7947	2.7442		2.5600	2.5600	3.7063	2.9418	2.9418
F4	1.3517	2.3577	2.5600		2.1743	2.6060	2.6363	3.2964
F5	1.3517	2.3577	2.5600	2.1743		2.6060	3.2964	2.6363
H6	2.1307	1.1030	3.7063	2.6060	2.6060		1.8021	1.8021
H7	2.1488	1.1006	2.9418	2.6363	3.2964	1.8021		1.8008
H8	2.1488	1.1006	2.9418	3.2964	2.6363	1.8021	1.8008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.151	C1	C2	H7	109.702
C1	C2	H8	109.702	C2	C1	Cl3	111.921
C2	C1	F4	110.744	C2	C1	F5	110.744
Cl3	C1	F4	108.081	Cl3	C1	F5	108.081
F4	C1	F5	107.090	H6	C2	H7	109.731
H6	C2	H8	109.731	H7	C2	H8	109.799

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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