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	hartrees
Energy at 0K	-637.678926
Energy at 298.15K	-637.683860
Nuclear repulsion energy	164.963924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3198	3067	7.00
2	A	3184	3054	7.67
3	A	3161	3031	7.16
4	A	3082	2956	4.56
5	A	1476	1415	3.55
6	A	1471	1410	3.93
7	A	1406	1348	26.36
8	A	1356	1300	2.97
9	A	1309	1256	39.85
10	A	1144	1097	17.91
11	A	1114	1068	105.03
12	A	1035	993	22.46
13	A	900	864	64.18
14	A	702	673	57.32
15	A	474	455	7.64
16	A	378	362	2.06
17	A	328	315	1.48
18	A	255	245	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.407	0.095	0.393
C2	1.255	-1.047	-0.115
H3	0.426	0.216	1.484
F4	0.845	1.292	-0.165
Cl5	-1.318	-0.127	-0.056
H6	1.169	-1.115	-1.208
H7	2.305	-0.864	0.162
H8	0.918	-1.990	0.337

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5103	1.0979	1.3923	1.7962	2.1467	2.1385	2.1475
C2	1.5103		2.2002	2.3757	2.7330	1.0988	1.1005	1.0991
H3	1.0979	2.2002		2.0137	2.3519	3.0941	2.5386	2.5352
F4	1.3923	2.3757	2.0137		2.5896	2.6433	2.6245	3.3219
Cl5	1.7962	2.7330	2.3519	2.5896		2.9132	3.7029	2.9366
H6	2.1467	1.0988	3.0941	2.6433	2.9132		1.7971	1.7939
H7	2.1385	1.1005	2.5386	2.6245	3.7029	1.7971		1.7949
H8	2.1475	1.0991	2.5352	3.3219	2.9366	1.7939	1.7949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.715	C1	C2	H7	108.978
C1	C2	H8	109.760	C2	C1	H3	114.100
C2	C1	F4	109.791	C2	C1	Cl5	111.201
H3	C1	F4	107.338	H3	C1	Cl5	106.192
F4	C1	Cl5	107.948	H6	C2	H7	109.593
H6	C2	H8	109.404	H7	C2	H8	109.377

All results from a given calculation for CH₃CHFCl (Ethane, 1-chloro-1-fluoro-)

using model chemistry: MP2/aug-cc-pVDZ

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 CH3CHFCl (Ethane, 1-chloro-1-fluoro-)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHFCl (Ethane, 1-chloro-1-fluoro-)