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	hartrees
Energy at 0K	-474.790272
Energy at 298.15K	-474.794600
Nuclear repulsion energy	276.264109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	2951	16.51
2	A'	1628	1479	14.10
3	A'	1607	1460	23.82
4	A'	1444	1312	203.97
5	A'	1342	1219	323.90
6	A'	1223	1111	134.12
7	A'	924	840	20.37
8	A'	727	661	46.08
9	A'	599	544	14.00
10	A'	449	408	0.93
11	A'	238	216	4.38
12	A"	3310	3008	18.13
13	A"	1453	1320	211.49
14	A"	1333	1211	72.76
15	A"	1082	983	67.44
16	A"	584	531	4.59
17	A"	382	347	1.19
18	A"	118	107	7.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.359	0.189	0.000
C2	-1.148	0.237	0.000
F3	0.829	1.423	0.000
F4	0.829	-0.424	1.062
F5	0.829	-0.424	-1.062
F6	-1.631	-1.025	0.000
H7	-1.482	0.753	0.889
H8	-1.482	0.753	-0.889

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5074	1.3196	1.3136	1.3136	2.3317	2.1207	2.1207
C2	1.5074		2.3048	2.3391	2.3391	1.3517	1.0808	1.0808
F3	1.3196	2.3048		2.1307	2.1307	3.4705	2.5650	2.5650
F4	1.3136	2.3391	2.1307		2.1245	2.7460	2.5991	3.2454
F5	1.3136	2.3391	2.1307	2.1245		2.7460	3.2454	2.5991
F6	2.3317	1.3517	3.4705	2.7460	2.7460		1.9935	1.9935
H7	2.1207	1.0808	2.5650	2.5991	3.2454	1.9935		1.7778
H8	2.1207	1.0808	2.5650	3.2454	2.5991	1.9935	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.157	C1	C2	H7	108.930
C1	C2	H8	108.930	C2	C1	F3	109.043
C2	C1	F4	111.840	C2	C1	F5	111.840
F3	C1	F4	108.026	F3	C1	F5	108.026
F4	C1	F5	107.925	F6	C2	H7	109.568
F6	C2	H8	109.568	H7	C2	H8	110.661

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.784
2	C	0.149
3	F	-0.284
4	F	-0.271
5	F	-0.271
6	F	-0.321
7	H	0.107
8	H	0.107

	x	y	z	Total
	-1.437	1.727	0.000	2.246
CHELPG
AIM
ESP

	x	y	z
x	3.034	0.005	0.000
y	0.005	3.179	0.000
z	0.000	0.000	3.090

<r²>	130.319
(<r²>)^1/2	11.416

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

using model chemistry: HF/6-311G**

States and conformations

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