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	hartrees
Energy at 0K	-637.869059
Energy at 298.15K
HF Energy	-637.085383
Nuclear repulsion energy	157.754294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3138	2980	14.73
2	A'	3111	2954	14.52
3	A'	1538	1460	1.84
4	A'	1510	1434	4.83
5	A'	1433	1361	4.69
6	A'	1291	1226	7.45
7	A'	1109	1053	40.35
8	A'	1083	1028	76.91
9	A'	813	772	35.53
10	A'	392	372	2.57
11	A'	242	230	10.58
12	A"	3212	3049	6.88
13	A"	3175	3014	10.80
14	A"	1320	1253	0.02
15	A"	1236	1174	1.34
16	A"	1075	1021	2.02
17	A"	803	763	0.48
18	A"	136	129	9.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.621	0.000
C2	0.976	-0.531	0.000
Cl3	-1.655	-0.035	0.000
F4	2.261	-0.014	0.000
H5	0.120	1.234	0.887
H6	0.120	1.234	-0.887
H7	0.847	-1.146	0.888
H8	0.847	-1.146	-0.888

	C1	C2	Cl3	F4	H5	H6	H7	H8
C1		1.5103	1.7805	2.3482	1.0851	1.0851	2.1514	2.1514
C2	1.5103		2.6777	1.3849	2.1531	2.1531	1.0879	1.0879
Cl3	1.7805	2.6777		3.9159	2.3557	2.3557	2.8782	2.8782
F4	2.3482	1.3849	3.9159		2.6317	2.6317	2.0171	2.0171
H5	1.0851	2.1531	2.3557	2.6317		1.7749	2.4880	3.0568
H6	1.0851	2.1531	2.3557	2.6317	1.7749		3.0568	2.4880
H7	2.1514	1.0879	2.8782	2.0171	2.4880	3.0568		1.7769
H8	2.1514	1.0879	2.8782	2.0171	3.0568	2.4880	1.7769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.325	C1	C2	H7	110.750
C1	C2	H8	110.750	C2	C1	Cl3	108.640
C2	C1	H5	111.054	C2	C1	H6	111.054
Cl3	C1	H5	108.123	Cl3	C1	H6	108.123
F4	C2	H7	108.726	F4	C2	H8	108.726
H5	C1	H6	109.747	H7	C2	H8	109.509

All results from a given calculation for CH₂FCH₂Cl (Ethane, 1-chloro-2-fluoro-)

using model chemistry: MP2/cc-pVTZ

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 CH2FCH2Cl (Ethane, 1-chloro-2-fluoro-)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for CH₂FCH₂Cl (Ethane, 1-chloro-2-fluoro-)