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	hartrees
Energy at 0K	-637.643388
Energy at 298.15K	-637.648396
HF Energy	-636.995458
Nuclear repulsion energy	166.267738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3258	3036	12.51
2	A	3246	3024	10.53
3	A	3229	3008	7.60
4	A	3152	2936	5.79
5	A	1540	1435	3.00
6	A	1536	1431	4.24
7	A	1481	1380	22.81
8	A	1410	1314	11.70
9	A	1382	1287	54.14
10	A	1178	1097	34.18
11	A	1173	1093	96.75
12	A	1080	1006	22.41
13	A	946	881	61.68
14	A	734	684	51.53
15	A	488	454	8.30
16	A	391	364	3.07
17	A	334	311	1.27
18	A	261	243	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.397	0.096	0.389
C2	1.265	-1.027	-0.113
H3	0.427	0.218	1.466
F4	0.825	1.285	-0.164
Cl5	-1.310	-0.135	-0.056
H6	1.189	-1.096	-1.193
H7	2.297	-0.824	0.162
H8	0.956	-1.970	0.329

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5056	1.0839	1.3797	1.7792	2.1333	2.1232	2.1403
C2	1.5056		2.1782	2.3545	2.7260	1.0858	1.0872	1.0855
H3	1.0839	2.1782		1.9877	2.3365	3.0623	2.5062	2.5216
F4	1.3797	2.3545	1.9877		2.5666	2.6192	2.5927	3.2942
Cl5	1.7792	2.7260	2.3365	2.5666		2.9086	3.6789	2.9405
H6	2.1333	1.0858	3.0623	2.6192	2.9086		1.7723	1.7707
H7	2.1232	1.0872	2.5062	2.5927	3.6789	1.7723		1.7719
H8	2.1403	1.0855	2.5216	3.2942	2.9405	1.7707	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.760	C1	C2	H7	108.881
C1	C2	H8	110.336	C2	C1	H3	113.531
C2	C1	F4	109.303	C2	C1	Cl5	111.905
H3	C1	F4	106.964	H3	C1	Cl5	106.867
F4	C1	Cl5	108.013	H6	C2	H7	109.291
H6	C2	H8	109.274	H7	C2	H8	109.280

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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