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	hartrees
Energy at 0K	-637.248614
Energy at 298.15K	-637.253477
HF Energy	-636.897464
Nuclear repulsion energy	160.731308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3208	3069	20.50
2	A	3188	3051	2.66
3	A	3177	3039	5.31
4	A	3087	2953	4.15
5	A	1559	1492	5.72
6	A	1555	1488	6.93
7	A	1500	1435	16.53
8	A	1400	1339	14.24
9	A	1351	1293	60.82
10	A	1182	1131	28.90
11	A	1152	1102	47.01
12	A	1068	1022	25.38
13	A	905	866	59.90
14	A	644	616	67.63
15	A	456	436	14.68
16	A	351	336	1.85
17	A	316	302	2.05
18	A	263	252	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.442	0.074	0.412
C2	1.269	-1.075	-0.121
H3	0.450	0.195	1.495
F4	0.910	1.303	-0.168
Cl5	-1.373	-0.109	-0.057
H6	1.184	-1.123	-1.212
H7	2.319	-0.909	0.149
H8	0.932	-2.025	0.308

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5121	1.0897	1.4365	1.8839	2.1493	2.1352	2.1578
C2	1.5121		2.2119	2.4048	2.8134	1.0953	1.0975	1.0956
H3	1.0897	2.2119		2.0498	2.4134	3.0987	2.5541	2.5628
F4	1.4365	2.4048	2.0498		2.6866	2.6553	2.6419	3.3615
Cl5	1.8839	2.8134	2.4134	2.6866		2.9832	3.7837	3.0190
H6	2.1493	1.0953	3.0987	2.6553	2.9832		1.7856	1.7852
H7	2.1352	1.0975	2.5541	2.6419	3.7837	1.7856		1.7876
H8	2.1578	1.0956	2.5628	3.3615	3.0190	1.7852	1.7876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.006	C1	C2	H7	108.775
C1	C2	H8	110.664	C2	C1	H3	115.493
C2	C1	F4	109.259	C2	C1	Cl5	111.405
H3	C1	F4	107.675	H3	C1	Cl5	105.367
F4	C1	Cl5	107.255	H6	C2	H7	109.034
H6	C2	H8	109.135	H7	C2	H8	109.201

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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