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	hartrees
Energy at 0K	-475.605755
Energy at 298.15K	-475.609815
Nuclear repulsion energy	271.597216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	2968	13.34
2	A'	1564	1464	5.21
3	A'	1509	1413	22.56
4	A'	1360	1273	142.98
5	A'	1246	1167	262.16
6	A'	1147	1074	70.52
7	A'	865	810	19.22
8	A'	668	625	30.88
9	A'	549	514	9.44
10	A'	413	386	0.78
11	A'	216	202	3.22
12	A"	3245	3039	14.40
13	A"	1363	1277	139.40
14	A"	1248	1168	63.54
15	A"	1021	956	60.18
16	A"	530	496	2.74
17	A"	358	335	1.23
18	A"	114	107	5.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.354	0.197	0.000
C2	-1.153	0.239	0.000
F3	0.832	1.463	0.000
F4	0.832	-0.433	1.089
F5	0.832	-0.433	-1.089
F6	-1.632	-1.057	0.000
H7	-1.492	0.761	0.893
H8	-1.492	0.761	-0.893

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5082	1.3530	1.3458	1.3458	2.3491	2.1267	2.1267
C2	1.5082		2.3322	2.3619	2.3619	1.3817	1.0882	1.0882
F3	1.3530	2.3322		2.1867	2.1867	3.5244	2.5865	2.5865
F4	1.3458	2.3619	2.1867		2.1778	2.7650	2.6196	3.2791
F5	1.3458	2.3619	2.1867	2.1778		2.7650	3.2791	2.6196
F6	2.3491	1.3817	3.5244	2.7650	2.7650		2.0301	2.0301
H7	2.1267	1.0882	2.5865	2.6196	3.2791	2.0301		1.7862
H8	2.1267	1.0882	2.5865	3.2791	2.6196	2.0301	1.7862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.674	C1	C2	H7	108.913
C1	C2	H8	108.913	C2	C1	F3	109.072
C2	C1	F4	111.577	C2	C1	F5	111.577
F3	C1	F4	108.241	F3	C1	F5	108.241
F4	C1	F5	108.020	F6	C2	H7	109.993
F6	C2	H8	109.993	H7	C2	H8	110.316

All results from a given calculation for CF₃CH₂F (1,1,1,2-tetrafluoroethane)

using model chemistry: MP2/6-31G**

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 CF3CH2F (1,1,1,2-tetrafluoroethane)

using model chemistry: MP2/6-31G**

States and conformations

All results from a given calculation for CF₃CH₂F (1,1,1,2-tetrafluoroethane)