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	hartrees
Energy at 0K	-75.853059
Energy at 298.15K	-75.857384
HF Energy	-75.147952
Nuclear repulsion energy	106.244762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3069	7.78
2	A'	3122	2964	4.17
3	A'	1508	1432	0.52
4	A'	1455	1381	41.33
5	A'	1261	1197	115.41
6	A'	1176	1117	207.08
7	A'	928	881	123.21
8	A'	692	657	44.55
9	A'	538	511	15.33
10	A'	441	418	0.57
11	A'	304	288	1.09
12	A"	3246	3081	7.24
13	A"	1506	1430	2.42
14	A"	1223	1161	186.38
15	A"	989	939	69.10
16	A"	430	408	0.00
17	A"	334	317	0.61
18	A"	256	243	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.340	0.007	0.000
C2	-0.820	1.456	0.000
Cl3	1.443	-0.135	0.000
F4	-0.820	-0.658	1.097
F5	-0.820	-0.658	-1.097
H6	-1.922	1.446	0.000
H7	-0.445	1.963	0.902
H8	-0.445	1.963	-0.902

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5258	1.7888	1.3693	1.3693	2.1381	2.1565	2.1565
C2	1.5258		2.7656	2.3815	2.3815	1.1024	1.1003	1.1003
Cl3	1.7888	2.7656		2.5679	2.5679	3.7176	2.9633	2.9633
F4	1.3693	2.3815	2.5679		2.1932	2.6165	2.6554	3.3175
F5	1.3693	2.3815	2.5679	2.1932		2.6165	3.3175	2.6554
H6	2.1381	1.1024	3.7176	2.6165	2.6165		1.8058	1.8058
H7	2.1565	1.1003	2.9633	2.6554	3.3175	1.8058		1.8032
H8	2.1565	1.1003	2.9633	3.3175	2.6554	1.8058	1.8032

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	107.798	C1	C2	H7	109.341
C1	C2	H8	109.341	C2	C1	Cl3	112.861
C2	C1	F4	110.583	C2	C1	F5	110.583
Cl3	C1	F4	108.068	Cl3	C1	F5	108.068
F4	C1	F5	106.423	H6	C2	H7	110.131
H6	C2	H8	110.131	H7	C2	H8	110.057

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

using model chemistry: MP2/CEP-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: MP2/CEP-31G*

States and conformations

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