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	hartrees
Energy at 0K	-736.159608
Energy at 298.15K	-736.163920
HF Energy	-735.725406
Nuclear repulsion energy	239.275553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3030	2.71
2	A'	3143	2948	1.11
3	A'	1574	1476	3.77
4	A'	1532	1437	23.79
5	A'	1295	1215	126.08
6	A'	1218	1142	156.35
7	A'	929	871	125.51
8	A'	657	616	69.99
9	A'	513	482	22.87
10	A'	420	394	0.44
11	A'	303	284	1.39
12	A"	3247	3045	2.22
13	A"	1571	1473	6.15
14	A"	1300	1219	133.61
15	A"	1037	973	56.67
16	A"	423	396	0.31
17	A"	330	310	1.14
18	A"	260	244	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.364	0.022	0.000
C2	-0.838	1.448	0.000
Cl3	1.481	-0.133	0.000
F4	-0.838	-0.662	1.120
F5	-0.838	-0.662	-1.120
H6	-1.930	1.444	0.000
H7	-0.476	1.961	0.890
H8	-0.476	1.961	-0.890

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5027	1.8516	1.3948	1.3948	2.1151	2.1372	2.1372
C2	1.5027		2.8061	2.3885	2.3885	1.0922	1.0896	1.0896
Cl3	1.8516	2.8061		2.6284	2.6284	3.7575	3.0014	3.0014
F4	1.3948	2.3885	2.6284		2.2401	2.6233	2.6578	3.3246
F5	1.3948	2.3885	2.6284	2.2401		2.6233	3.3246	2.6578
H6	2.1151	1.0922	3.7575	2.6233	2.6233		1.7815	1.7815
H7	2.1372	1.0896	3.0014	2.6578	3.3246	1.7815		1.7809
H8	2.1372	1.0896	3.0014	3.3246	2.6578	1.7815	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.153	C1	C2	H7	110.043
C1	C2	H8	110.043	C2	C1	Cl3	113.153
C2	C1	F4	110.991	C2	C1	F5	110.991
Cl3	C1	F4	107.283	Cl3	C1	F5	107.283
F4	C1	F5	106.836	H6	C2	H7	109.480
H6	C2	H8	109.480	H7	C2	H8	109.617

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

using model chemistry: CISD/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 CH3CF2Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: CISD/6-31G

States and conformations

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