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	hartrees
Energy at 0K	-52.399569
Energy at 298.15K	-52.404507
HF Energy	-51.857650
Nuclear repulsion energy	69.892667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3227	3064	20.02
2	A	3213	3050	16.79
3	A	3188	3027	22.49
4	A	3108	2951	9.60
5	A	1512	1435	4.47
6	A	1509	1432	2.46
7	A	1454	1380	26.55
8	A	1386	1316	11.35
9	A	1347	1278	58.64
10	A	1163	1104	19.57
11	A	1147	1089	124.56
12	A	1060	1007	27.63
13	A	924	877	66.37
14	A	722	685	56.50
15	A	476	452	8.61
16	A	379	360	2.89
17	A	326	309	1.36
18	A	263	250	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.401	0.102	0.395
C2	1.272	-1.047	-0.114
H3	0.427	0.228	1.488
F4	0.842	1.297	-0.167
Cl5	-1.323	-0.133	-0.057
H6	1.194	-1.112	-1.211
H7	2.319	-0.848	0.172
H8	0.941	-1.998	0.335

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5281	1.1008	1.3921	1.7980	2.1631	2.1519	2.1685
C2	1.5281		2.2144	2.3833	2.7514	1.1018	1.1039	1.1022
H3	1.1008	2.2144		2.0137	2.3622	3.1091	2.5440	2.5586
F4	1.3921	2.3833	2.0137		2.5967	2.6483	2.6264	3.3340
Cl5	1.7980	2.7514	2.3622	2.5967		2.9368	3.7188	2.9592
H6	2.1631	1.1018	3.1091	2.6483	2.9368		1.8017	1.7998
H7	2.1519	1.1039	2.5440	2.6264	3.7188	1.8017		1.8022
H8	2.1685	1.1022	2.5586	3.3340	2.9592	1.7998	1.8022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.604	C1	C2	H7	108.614
C1	C2	H8	110.008	C2	C1	H3	113.784
C2	C1	F4	109.310	C2	C1	Cl5	111.368
H3	C1	F4	107.178	H3	C1	Cl5	106.670
F4	C1	Cl5	108.306	H6	C2	H7	109.542
H6	C2	H8	109.495	H7	C2	H8	109.561

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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