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	hartrees
Energy at 0K	-637.668314
Energy at 298.15K	-637.673345
HF Energy	-637.049459
Nuclear repulsion energy	166.314814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3210	3051	9.55
2	A	3197	3038	10.17
3	A	3170	3013	15.66
4	A	3100	2946	4.68
5	A	1525	1449	5.91
6	A	1520	1445	3.52
7	A	1461	1388	32.51
8	A	1413	1343	14.40
9	A	1371	1303	49.78
10	A	1173	1114	61.12
11	A	1165	1107	74.06
12	A	1070	1017	26.72
13	A	938	891	57.21
14	A	725	689	58.97
15	A	490	466	8.49
16	A	393	373	2.30
17	A	336	319	1.17
18	A	282	268	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	0.100	0.389
C2	1.246	-1.039	-0.111
H3	0.428	0.221	1.471
F4	0.844	1.276	-0.165
Cl5	-1.310	-0.126	-0.056
H6	1.167	-1.105	-1.196
H7	2.287	-0.851	0.161
H8	0.923	-1.982	0.331

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5045	1.0895	1.3739	1.7810	2.1336	2.1263	2.1477
C2	1.5045		2.1812	2.3503	2.7155	1.0902	1.0919	1.0902
H3	1.0895	2.1812		1.9912	2.3393	3.0685	2.5146	2.5292
F4	1.3739	2.3503	1.9912		2.5730	2.6148	2.5913	3.2966
Cl5	1.7810	2.7155	2.3393	2.5730		2.8975	3.6765	2.9298
H6	2.1336	1.0902	3.0685	2.6148	2.8975		1.7779	1.7772
H7	2.1263	1.0919	2.5146	2.5913	3.6765	1.7779		1.7797
H8	2.1477	1.0902	2.5292	3.2966	2.9298	1.7772	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.587	C1	C2	H7	108.915
C1	C2	H8	110.716	C2	C1	H3	113.494
C2	C1	F4	109.389	C2	C1	Cl5	111.199
H3	C1	F4	107.301	H3	C1	Cl5	106.673
F4	C1	Cl5	108.596	H6	C2	H7	109.120
H6	C2	H8	109.187	H7	C2	H8	109.293

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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