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	hartrees
Energy at 0K	-475.667723
Energy at 298.15K	-475.671817
HF Energy	-474.679445
Nuclear repulsion energy	271.907293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	2968	10.86
2	A'	1555	1449	6.96
3	A'	1504	1401	18.90
4	A'	1355	1263	142.76
5	A'	1245	1160	279.04
6	A'	1150	1071	92.91
7	A'	866	807	20.01
8	A'	671	626	36.20
9	A'	552	514	10.76
10	A'	416	388	0.89
11	A'	222	207	3.64
12	A"	3259	3036	6.29
13	A"	1362	1269	157.20
14	A"	1247	1161	80.71
15	A"	1016	947	57.98
16	A"	534	497	3.22
17	A"	359	335	1.57
18	A"	120	111	7.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.362	0.197	0.000
C2	-1.155	0.236	0.000
F3	0.834	1.458	0.000
F4	0.834	-0.432	1.085
F5	0.834	-0.432	-1.085
F6	-1.642	-1.051	0.000
H7	-1.491	0.757	0.893
H8	-1.491	0.757	-0.893

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5178	1.3465	1.3399	1.3399	2.3612	2.1321	2.1321
C2	1.5178		2.3344	2.3619	2.3619	1.3761	1.0875	1.0875
F3	1.3465	2.3344		2.1793	2.1793	3.5252	2.5873	2.5873
F4	1.3399	2.3619	2.1793		2.1704	2.7734	2.6180	3.2760
F5	1.3399	2.3619	2.1793	2.1704		2.7734	3.2760	2.6180
F6	2.3612	1.3761	3.5252	2.7734	2.7734		2.0225	2.0225
H7	2.1321	1.0875	2.5873	2.6180	3.2760	2.0225		1.7869
H8	2.1321	1.0875	2.5873	3.2760	2.6180	2.0225	1.7869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.263	C1	C2	H7	108.725
C1	C2	H8	108.725	C2	C1	F3	109.029
C2	C1	F4	111.339	C2	C1	F5	111.339
F3	C1	F4	108.435	F3	C1	F5	108.435
F4	C1	F5	108.178	F6	C2	H7	109.808
F6	C2	H8	109.808	H7	C2	H8	110.481

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

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

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

States and conformations

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