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	hartrees
Energy at 0K	-637.620627
Energy at 298.15K	-637.625607
HF Energy	-637.013819
Nuclear repulsion energy	165.491744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3224	3071	6.00
2	A	3210	3058	7.43
3	A	3157	3007	21.69
4	A	3103	2956	5.05
5	A	1487	1416	2.61
6	A	1479	1409	3.94
7	A	1422	1354	33.41
8	A	1381	1315	5.91
9	A	1322	1259	48.43
10	A	1162	1106	95.07
11	A	1147	1093	45.88
12	A	1046	996	21.28
13	A	927	883	49.47
14	A	712	679	55.08
15	A	479	456	8.18
16	A	384	366	2.27
17	A	330	314	1.23
18	A	270	257	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.406	0.105	0.387
C2	1.247	-1.047	-0.111
H3	0.427	0.213	1.482
F4	0.852	1.280	-0.165
Cl5	-1.317	-0.124	-0.056
H6	1.166	-1.115	-1.206
H7	2.299	-0.869	0.164
H8	0.906	-1.991	0.337

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5104	1.1005	1.3732	1.7940	2.1456	2.1399	2.1554
C2	1.5104		2.1908	2.3609	2.7256	1.1003	1.1017	1.0997
H3	1.1005	2.1908		2.0086	2.3492	3.0883	2.5323	2.5297
F4	1.3732	2.3609	2.0086		2.5860	2.6301	2.6119	3.3103
Cl5	1.7940	2.7256	2.3492	2.5860		2.9102	3.6983	2.9300
H6	2.1456	1.1003	3.0883	2.6301	2.9102		1.7955	1.7943
H7	2.1399	1.1017	2.5323	2.6119	3.6983	1.7955		1.7967
H8	2.1554	1.0997	2.5297	3.3103	2.9300	1.7943	1.7967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.538	C1	C2	H7	109.010
C1	C2	H8	110.342	C2	C1	H3	113.154
C2	C1	F4	109.827	C2	C1	Cl5	110.855
H3	C1	F4	108.077	H3	C1	Cl5	106.018
F4	C1	Cl5	108.741	H6	C2	H7	109.248
H6	C2	H8	109.287	H7	C2	H8	109.396

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

using model chemistry: MP2/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/cc-pVDZ

States and conformations

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