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	hartrees
Energy at 0K	-634.204159
Energy at 298.15K	-634.208948
HF Energy	-633.823802
Nuclear repulsion energy	160.111444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3160	3063	17.71
2	A	3143	3046	4.41
3	A	3122	3025	2.69
4	A	3052	2958	4.10
5	A	1565	1517	4.40
6	A	1558	1510	4.54
7	A	1488	1442	16.36
8	A	1422	1378	16.59
9	A	1318	1277	63.46
10	A	1191	1154	79.50
11	A	1139	1104	20.54
12	A	1063	1030	16.77
13	A	921	892	41.40
14	A	608	589	65.81
15	A	434	420	15.75
16	A	329	319	2.12
17	A	305	296	1.86
18	A	257	249	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.479	0.101	0.411
C2	1.247	-1.098	-0.120
H3	0.464	0.190	1.497
F4	0.940	1.287	-0.174
Cl5	-1.388	-0.096	-0.054
H6	1.142	-1.147	-1.210
H7	2.309	-0.981	0.135
H8	0.862	-2.021	0.326

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5195	1.0897	1.3999	1.9345	2.1504	2.1435	2.1573
C2	1.5195		2.2108	2.4050	2.8197	1.0960	1.0990	1.0949
H3	1.0897	2.2108		2.0544	2.4323	3.0945	2.5753	2.5327
F4	1.3999	2.4050	2.0544		2.7102	2.6528	2.6666	3.3457
Cl5	1.9345	2.8197	2.4323	2.7102		2.9736	3.8063	2.9847
H6	2.1504	1.0960	3.0945	2.6528	2.9736		1.7884	1.7897
H7	2.1435	1.0990	2.5753	2.6666	3.8063	1.7884		1.7929
H8	2.1573	1.0949	2.5327	3.3457	2.9847	1.7897	1.7929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.545	C1	C2	H7	108.831
C1	C2	H8	110.153	C2	C1	H3	114.840
C2	C1	F4	110.871	C2	C1	Cl5	108.847
H3	C1	F4	110.600	H3	C1	Cl5	103.530
F4	C1	Cl5	107.662	H6	C2	H7	109.130
H6	C2	H8	109.548	H7	C2	H8	109.614

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

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

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