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	hartrees
Energy at 0K	-738.060793
Energy at 298.15K	-738.065071
HF Energy	-738.060793
Nuclear repulsion energy	244.358760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3034	3.76
2	A'	3060	2960	2.13
3	A'	1483	1435	0.54
4	A'	1421	1375	28.88
5	A'	1218	1179	121.87
6	A'	1129	1092	158.28
7	A'	890	861	128.90
8	A'	666	644	61.09
9	A'	537	520	13.41
10	A'	419	405	3.65
11	A'	299	290	1.42
12	A"	3154	3052	2.00
13	A"	1480	1432	3.52
14	A"	1187	1149	143.36
15	A"	964	933	73.12
16	A"	429	415	0.19
17	A"	328	318	0.37
18	A"	240	233	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.354	0.000	0.000
C2	-0.817	1.438	0.000
Cl3	1.444	-0.130	0.000
F4	-0.817	-0.653	1.085
F5	-0.817	-0.653	-1.085
H6	-1.907	1.443	0.000
H7	-0.451	1.946	0.888
H8	-0.451	1.946	-0.888

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5104	1.8024	1.3487	1.3487	2.1200	2.1410	2.1410
C2	1.5104		2.7514	2.3554	2.3554	1.0896	1.0866	1.0866
Cl3	1.8024	2.7514		2.5618	2.5618	3.7017	2.9476	2.9476
F4	1.3487	2.3554	2.5618		2.1709	2.5998	2.6318	3.2834
F5	1.3487	2.3554	2.5618	2.1709		2.5998	3.2834	2.6318
H6	2.1200	1.0896	3.7017	2.5998	2.5998		1.7779	1.7779
H7	2.1410	1.0866	2.9476	2.6318	3.2834	1.7779		1.7756
H8	2.1410	1.0866	2.9476	3.2834	2.6318	1.7779	1.7756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.159	C1	C2	H7	109.985
C1	C2	H8	109.985	C2	C1	Cl3	112.013
C2	C1	F4	110.816	C2	C1	F5	110.816
Cl3	C1	F4	107.912	Cl3	C1	F5	107.912
F4	C1	F5	107.183	H6	C2	H7	109.558
H6	C2	H8	109.558	H7	C2	H8	109.574

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

using model chemistry: B3LYP/aug-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: B3LYP/aug-cc-pVTZ

States and conformations

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