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	hartrees
Energy at 0K	-637.773413
Energy at 298.15K	-637.778450
HF Energy	-637.049506
Nuclear repulsion energy	166.445714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3213	3043	9.23
2	A	3200	3031	9.88
3	A	3173	3005	15.68
4	A	3103	2939	4.57
5	A	1525	1445	6.02
6	A	1521	1440	3.60
7	A	1462	1385	33.17
8	A	1414	1339	14.38
9	A	1372	1300	49.47
10	A	1174	1112	57.26
11	A	1167	1105	78.41
12	A	1072	1015	26.46
13	A	940	890	56.77
14	A	727	689	57.97
15	A	491	465	8.39
16	A	394	373	2.32
17	A	336	319	1.17
18	A	283	268	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.401	0.102	0.388
C2	1.242	-1.040	-0.110
H3	0.428	0.218	1.471
F4	0.845	1.275	-0.165
Cl5	-1.309	-0.125	-0.056
H6	1.161	-1.108	-1.195
H7	2.284	-0.858	0.159
H8	0.915	-1.980	0.332

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5032	1.0895	1.3702	1.7807	2.1328	2.1267	2.1457
C2	1.5032		2.1778	2.3485	2.7108	1.0900	1.0916	1.0898
H3	1.0895	2.1778		1.9915	2.3378	3.0663	2.5145	2.5230
F4	1.3702	2.3485	1.9915		2.5710	2.6151	2.5933	3.2932
Cl5	1.7807	2.7108	2.3378	2.5710		2.8926	3.6737	2.9221
H6	2.1328	1.0900	3.0663	2.6151	2.8926		1.7772	1.7755
H7	2.1267	1.0916	2.5145	2.5933	3.6737	1.7772		1.7788
H8	2.1457	1.0898	2.5230	3.2932	2.9221	1.7755	1.7788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.634	C1	C2	H7	109.060
C1	C2	H8	110.673	C2	C1	H3	113.312
C2	C1	F4	109.547	C2	C1	Cl5	110.992
H3	C1	F4	107.573	H3	C1	Cl5	106.582
F4	C1	Cl5	108.663	H6	C2	H7	109.101
H6	C2	H8	109.085	H7	C2	H8	109.265

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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