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	hartrees
Energy at 0K	-476.249913
Energy at 298.15K	-476.254048
Nuclear repulsion energy	273.779898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	2987	12.87
2	A'	1529	1451	7.57
3	A'	1487	1411	26.23
4	A'	1345	1277	135.60
5	A'	1226	1164	271.29
6	A'	1151	1093	80.61
7	A'	870	826	16.72
8	A'	680	646	30.89
9	A'	561	533	8.15
10	A'	420	399	0.61
11	A'	222	210	3.08
12	A"	3203	3041	6.96
13	A"	1350	1282	124.18
14	A"	1238	1175	99.18
15	A"	1003	952	56.21
16	A"	543	516	2.16
17	A"	359	341	1.11
18	A"	122	116	5.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.358	0.191	0.000
C2	-1.144	0.239	0.000
F3	0.830	1.443	0.000
F4	0.830	-0.433	1.077
F5	0.830	-0.433	-1.077
F6	-1.640	-1.034	0.000
H7	-1.471	0.761	0.890
H8	-1.471	0.761	-0.890

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5034	1.3380	1.3314	1.3314	2.3448	2.1132	2.1132
C2	1.5034		2.3131	2.3474	2.3474	1.3663	1.0829	1.0829
F3	1.3380	2.3131		2.1633	2.1633	3.4992	2.5604	2.5604
F4	1.3314	2.3474	2.1633		2.1546	2.7618	2.5998	3.2549
F5	1.3314	2.3474	2.1633	2.1546		2.7618	3.2549	2.5998
F6	2.3448	1.3663	3.4992	2.7618	2.7618		2.0114	2.0114
H7	2.1132	1.0829	2.5604	2.5998	3.2549	2.0114		1.7803
H8	2.1132	1.0829	2.5604	3.2549	2.5998	2.0114	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.495	C1	C2	H7	108.491
C1	C2	H8	108.491	C2	C1	F3	108.854
C2	C1	F4	111.654	C2	C1	F5	111.654
F3	C1	F4	108.273	F3	C1	F5	108.273
F4	C1	F5	108.022	F6	C2	H7	109.882
F6	C2	H8	109.882	H7	C2	H8	110.566

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

using model chemistry: MP2=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

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