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	hartrees
Energy at 0K	-934.920652
Energy at 298.15K	-934.923911
HF Energy	-933.700924
Nuclear repulsion energy	421.472684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3188	3029	8.71
2	A	1440	1369	40.67
3	A	1378	1309	11.92
4	A	1343	1276	176.23
5	A	1256	1193	288.31
6	A	1209	1149	242.24
7	A	1143	1086	117.63
8	A	919	873	98.24
9	A	846	804	37.37
10	A	710	675	37.92
11	A	584	555	3.98
12	A	539	512	8.86
13	A	462	439	2.21
14	A	389	369	0.46
15	A	331	314	0.86
16	A	244	232	3.07
17	A	195	185	1.99
18	A	79	75	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.448	0.480	-0.464
C2	-0.858	-0.175	0.001
H3	0.443	0.548	-1.553
F4	0.514	1.723	0.070
Cl5	1.841	-0.481	0.022
F6	-0.908	-0.280	1.323
F7	-1.876	0.587	-0.410
F8	-0.983	-1.386	-0.544

	C1	C2	H3	F4	Cl5	F6	F7	F8
C1		1.5327	1.0907	1.3546	1.7610	2.3682	2.3267	2.3525
C2	1.5327		2.1515	2.3428	2.7164	1.3275	1.3359	1.3336
H3	1.0907	2.1515		2.0046	2.3435	3.2834	2.5861	2.6061
F4	1.3546	2.3428	2.0046		2.5729	2.7575	2.6894	3.5047
Cl5	1.7610	2.7164	2.3435	2.5729		3.0476	3.8913	3.0193
F6	2.3682	1.3275	3.2834	2.7575	3.0476		2.1658	2.1712
F7	2.3267	1.3359	2.5861	2.6894	3.8913	2.1658		2.1692
F8	2.3525	1.3336	2.6061	3.5047	3.0193	2.1712	2.1692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.582	C1	C2	F7	108.212
C1	C2	F8	110.121	C2	C1	H3	109.028
C2	C1	F4	108.310	C2	C1	Cl5	110.933
H3	C1	F4	109.652	H3	C1	Cl5	108.228
F4	C1	Cl5	110.670	F6	C2	F7	108.816
F6	C2	F8	109.352	F7	C2	F8	108.696

All results from a given calculation for CF₃CHFCl (1,1,1,2-tetrafluorochloroethane)

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 CF3CHFCl (1,1,1,2-tetrafluorochloroethane)

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for CF₃CHFCl (1,1,1,2-tetrafluorochloroethane)