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	hartrees
Energy at 0K	-737.109396
Energy at 298.15K	-737.113833
HF Energy	-735.990946
Nuclear repulsion energy	246.975639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3051	2.28
2	A'	3126	2968	0.99
3	A'	1508	1432	0.29
4	A'	1434	1362	49.65
5	A'	1271	1206	105.79
6	A'	1156	1097	193.58
7	A'	932	884	95.86
8	A'	699	663	48.96
9	A'	555	527	13.07
10	A'	446	423	0.81
11	A'	311	295	1.11
12	A"	3228	3064	0.82
13	A"	1507	1431	2.67
14	A"	1233	1171	164.76
15	A"	994	944	43.80
16	A"	439	416	0.01
17	A"	341	324	0.42
18	A"	273	259	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.346	-0.000	0.000
C2	-0.807	1.418	0.000
Cl3	1.424	-0.119	0.000
F4	-0.807	-0.653	1.080
F5	-0.807	-0.653	-1.080
H6	-1.891	1.421	0.000
H7	-0.437	1.917	0.885
H8	-0.437	1.917	-0.885

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4921	1.7739	1.3436	1.3436	2.0994	2.1140	2.1140
C2	1.4921		2.7096	2.3358	2.3358	1.0836	1.0814	1.0814
Cl3	1.7739	2.7096		2.5361	2.5361	3.6551	2.8966	2.8966
F4	1.3436	2.3358	2.5361		2.1604	2.5769	2.6039	3.2563
F5	1.3436	2.3358	2.5361	2.1604		2.5769	3.2563	2.6039
H6	2.0994	1.0836	3.6551	2.5769	2.5769		1.7733	1.7733
H7	2.1140	1.0814	2.8966	2.6039	3.2563	1.7733		1.7697
H8	2.1140	1.0814	2.8966	3.2563	2.6039	1.7733	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.149	C1	C2	H7	109.432
C1	C2	H8	109.432	C2	C1	Cl3	111.837
C2	C1	F4	110.813	C2	C1	F5	110.813
Cl3	C1	F4	108.090	Cl3	C1	F5	108.090
F4	C1	F5	107.017	H6	C2	H7	109.986
H6	C2	H8	109.986	H7	C2	H8	109.828

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

using model chemistry: MP2=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

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