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	hartrees
Energy at 0K	-637.564998
Energy at 298.15K	-637.570015
HF Energy	-636.980249
Nuclear repulsion energy	166.199701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3239	3051	6.59
2	A	3225	3039	7.03
3	A	3186	3002	18.27
4	A	3128	2947	3.37
5	A	1550	1460	3.29
6	A	1546	1456	4.63
7	A	1479	1393	26.61
8	A	1420	1338	12.94
9	A	1385	1305	54.46
10	A	1185	1116	69.50
11	A	1177	1109	49.65
12	A	1082	1019	24.57
13	A	952	897	51.80
14	A	730	687	56.60
15	A	488	459	8.92
16	A	388	366	2.48
17	A	335	315	1.28
18	A	282	265	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	0.096	0.392
C2	1.248	-1.036	-0.113
H3	0.423	0.207	1.477
F4	0.844	1.277	-0.164
Cl5	-1.311	-0.126	-0.057
H6	1.172	-1.093	-1.199
H7	2.288	-0.844	0.164
H8	0.929	-1.984	0.322

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5034	1.0906	1.3788	1.7809	2.1319	2.1233	2.1484
C2	1.5034		2.1802	2.3484	2.7170	1.0909	1.0924	1.0909
H3	1.0906	2.1802		2.0037	2.3384	3.0678	2.5115	2.5281
F4	1.3788	2.3484	2.0037		2.5731	2.6063	2.5868	3.2980
Cl5	1.7809	2.7170	2.3384	2.5731		2.8989	3.6763	2.9347
H6	2.1319	1.0909	3.0678	2.6063	2.8989		1.7792	1.7796
H7	2.1233	1.0924	2.5115	2.5868	3.6763	1.7792		1.7808
H8	2.1484	1.0909	2.5281	3.2980	2.9347	1.7796	1.7808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.497	C1	C2	H7	108.725
C1	C2	H8	110.810	C2	C1	H3	113.415
C2	C1	F4	109.054	C2	C1	Cl5	111.357
H3	C1	F4	107.898	H3	C1	Cl5	106.561
F4	C1	Cl5	108.380	H6	C2	H7	109.162
H6	C2	H8	109.314	H7	C2	H8	109.307

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

using model chemistry: MP2=FULL/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=FULL/6-31G*

States and conformations

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