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	hartrees
Energy at 0K	-637.497549
Energy at 298.15K	-637.502614
HF Energy	-636.980877
Nuclear repulsion energy	166.701086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3278	3027	14.47
2	A	3262	3014	14.01
3	A	3251	3003	9.96
4	A	3176	2933	5.28
5	A	1576	1456	2.86
6	A	1571	1451	3.94
7	A	1518	1402	26.56
8	A	1460	1349	15.05
9	A	1416	1308	57.57
10	A	1225	1132	118.46
11	A	1202	1110	17.04
12	A	1108	1023	23.84
13	A	980	905	50.98
14	A	747	690	59.61
15	A	499	461	9.39
16	A	399	369	2.87
17	A	340	314	1.28
18	A	276	255	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	0.102	0.389
C2	1.260	-1.024	-0.111
H3	0.423	0.212	1.468
F4	0.826	1.276	-0.164
Cl5	-1.308	-0.134	-0.056
H6	1.188	-1.089	-1.194
H7	2.294	-0.822	0.165
H8	0.951	-1.970	0.326

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5040	1.0848	1.3666	1.7783	2.1326	2.1212	2.1456
C2	1.5040		2.1733	2.3415	2.7185	1.0873	1.0889	1.0871
H3	1.0848	2.1733		1.9892	2.3318	3.0600	2.5035	2.5191
F4	1.3666	2.3415	1.9892		2.5598	2.6046	2.5819	3.2855
Cl5	1.7783	2.7185	2.3318	2.5598		2.9044	3.6735	2.9357
H6	2.1326	1.0873	3.0600	2.6046	2.9044		1.7724	1.7733
H7	2.1212	1.0889	2.5035	2.5819	3.6735	1.7724		1.7743
H8	2.1456	1.0871	2.5191	3.2855	2.9357	1.7733	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.720	C1	C2	H7	108.726
C1	C2	H8	110.771	C2	C1	H3	113.174
C2	C1	F4	109.217	C2	C1	Cl5	111.557
H3	C1	F4	107.921	H3	C1	Cl5	106.534
F4	C1	Cl5	108.254	H6	C2	H7	109.071
H6	C2	H8	109.280	H7	C2	H8	109.247

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

using model chemistry: CID/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 CH3CHFCl (Ethane, 1-chloro-1-fluoro-)

using model chemistry: CID/6-31G*

States and conformations

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