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	hartrees
Energy at 0K	-637.727225
Energy at 298.15K	-637.732197
HF Energy	-637.001014
Nuclear repulsion energy	166.646496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3238	3058	2.86
2	A	3221	3042	4.33
3	A	3166	2990	13.51
4	A	3120	2947	2.57
5	A	1514	1430	2.50
6	A	1507	1423	3.74
7	A	1435	1355	28.47
8	A	1405	1327	5.49
9	A	1333	1259	45.58
10	A	1181	1116	114.40
11	A	1151	1087	18.87
12	A	1054	995	22.07
13	A	938	886	40.52
14	A	714	675	55.21
15	A	478	452	7.14
16	A	384	362	2.02
17	A	327	309	1.20
18	A	265	250	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.407	0.110	0.388
C2	1.250	-1.034	-0.111
H3	0.422	0.217	1.473
F4	0.833	1.274	-0.166
Cl5	-1.308	-0.130	-0.055
H6	1.167	-1.102	-1.195
H7	2.290	-0.849	0.160
H8	0.921	-1.971	0.336

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5062	1.0901	1.3570	1.7869	2.1339	2.1261	2.1441
C2	1.5062		2.1810	2.3455	2.7130	1.0892	1.0910	1.0887
H3	1.0901	2.1810		1.9928	2.3339	3.0676	2.5195	2.5151
F4	1.3570	2.3455	1.9928		2.5619	2.6102	2.5958	3.2840
Cl5	1.7869	2.7130	2.3339	2.5619		2.8929	3.6754	2.9164
H6	2.1339	1.0892	3.0676	2.6102	2.8929		1.7781	1.7770
H7	2.1261	1.0910	2.5195	2.5958	3.6754	1.7781		1.7787
H8	2.1441	1.0887	2.5151	3.2840	2.9164	1.7770	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.553	C1	C2	H7	108.839
C1	C2	H8	110.401	C2	C1	H3	113.310
C2	C1	F4	109.893	C2	C1	Cl5	110.648
H3	C1	F4	108.555	H3	C1	Cl5	105.876
F4	C1	Cl5	108.374	H6	C2	H7	109.288
H6	C2	H8	109.359	H7	C2	H8	109.382

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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