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	hartrees
Energy at 0K	-637.634077
Energy at 298.15K	-637.639061
HF Energy	-637.013922
Nuclear repulsion energy	165.625672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3231	3071	5.77
2	A	3217	3057	7.22
3	A	3162	3005	21.70
4	A	3109	2955	4.95
5	A	1489	1415	2.70
6	A	1481	1408	3.97
7	A	1424	1353	33.75
8	A	1382	1314	5.92
9	A	1323	1257	48.24
10	A	1163	1106	93.02
11	A	1149	1092	48.01
12	A	1047	995	21.20
13	A	929	882	49.34
14	A	713	678	54.81
15	A	480	456	8.15
16	A	385	366	2.27
17	A	330	314	1.23
18	A	271	258	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.406	0.104	0.387
C2	1.246	-1.046	-0.111
H3	0.427	0.212	1.481
F4	0.852	1.279	-0.165
Cl5	-1.316	-0.124	-0.056
H6	1.164	-1.114	-1.205
H7	2.297	-0.869	0.164
H8	0.905	-1.990	0.337

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5090	1.0996	1.3726	1.7923	2.1437	2.1382	2.1535
C2	1.5090		2.1887	2.3592	2.7231	1.0993	1.1007	1.0987
H3	1.0996	2.1887		2.0073	2.3474	3.0855	2.5300	2.5276
F4	1.3726	2.3592	2.0073		2.5841	2.6281	2.6099	3.3079
Cl5	1.7923	2.7231	2.3474	2.5841		2.9076	3.6950	2.9274
H6	2.1437	1.0993	3.0855	2.6281	2.9076		1.7937	1.7924
H7	2.1382	1.1007	2.5300	2.6099	3.6950	1.7937		1.7949
H8	2.1535	1.0987	2.5276	3.3079	2.9274	1.7924	1.7949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.544	C1	C2	H7	109.030
C1	C2	H8	110.357	C2	C1	H3	113.140
C2	C1	F4	109.821	C2	C1	Cl5	110.857
H3	C1	F4	108.069	H3	C1	Cl5	106.036
F4	C1	Cl5	108.751	H6	C2	H7	109.237
H6	C2	H8	109.269	H7	C2	H8	109.386

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

using model chemistry: MP2=FULL/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=FULL/cc-pVDZ

States and conformations

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