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	hartrees
Energy at 0K	-736.610345
Energy at 298.15K	-736.614750
HF Energy	-735.841992
Nuclear repulsion energy	245.024390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3038	5.10
2	A'	3102	2954	1.93
3	A'	1531	1458	0.86
4	A'	1477	1407	38.69
5	A'	1292	1231	121.24
6	A'	1194	1137	181.69
7	A'	950	904	99.20
8	A'	698	665	46.80
9	A'	544	518	15.12
10	A'	444	423	0.43
11	A'	311	296	1.01
12	A"	3204	3052	3.90
13	A"	1530	1457	2.08
14	A"	1283	1222	163.57
15	A"	1022	974	43.35
16	A"	436	415	0.03
17	A"	343	326	0.61
18	A"	273	260	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.340	0.006	0.000
C2	-0.814	1.434	0.000
Cl3	1.434	-0.132	0.000
F4	-0.814	-0.650	1.090
F5	-0.814	-0.650	-1.090
H6	-1.909	1.423	0.000
H7	-0.451	1.947	0.894
H8	-0.451	1.947	-0.894

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5047	1.7797	1.3576	1.3576	2.1138	2.1404	2.1404
C2	1.5047		2.7395	2.3521	2.3521	1.0949	1.0929	1.0929
Cl3	1.7797	2.7395		2.5515	2.5515	3.6866	2.9457	2.9457
F4	1.3576	2.3521	2.5515		2.1805	2.5856	2.6300	3.2888
F5	1.3576	2.3521	2.5515	2.1805		2.5856	3.2888	2.6300
H6	2.1138	1.0949	3.6866	2.5856	2.5856		1.7883	1.7883
H7	2.1404	1.0929	2.9457	2.6300	3.2888	1.7883		1.7883
H8	2.1404	1.0929	2.9457	3.2888	2.6300	1.7883	1.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	107.767	C1	C2	H7	109.965
C1	C2	H8	109.965	C2	C1	Cl3	112.779
C2	C1	F4	110.417	C2	C1	F5	110.417
Cl3	C1	F4	108.082	Cl3	C1	F5	108.082
F4	C1	F5	106.845	H6	C2	H7	109.655
H6	C2	H8	109.655	H7	C2	H8	109.805

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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