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	hartrees
Energy at 0K	-469.999325
Energy at 298.15K	-470.002508
Nuclear repulsion energy	258.948869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	2875	7.81
2	A'	1630	1455	0.47
3	A'	1465	1307	8.09
4	A'	1287	1148	103.80
5	A'	1201	1072	14.63
6	A'	1169	1043	90.19
7	A'	798	712	0.19
8	A'	594	530	15.24
9	A'	474	423	5.76
10	A'	353	315	0.96
11	A'	176	157	0.69
12	A"	3326	2968	7.38
13	A"	1374	1226	88.38
14	A"	1244	1110	20.69
15	A"	976	871	9.29
16	A"	463	413	2.35
17	A"	294	263	0.35
18	A"	25	22	1.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	0.205	0.000
C2	-1.235	0.224	0.000
F3	0.889	1.522	0.000
F4	0.889	-0.452	1.138
F5	0.889	-0.452	-1.138
F6	-1.760	-1.079	0.000
H7	-1.563	0.792	0.906
H8	-1.563	0.792	-0.906

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.6338	1.4049	1.4028	1.4028	2.5117	2.2384	2.2384
C2	1.6338		2.4893	2.5027	2.5027	1.4046	1.1181	1.1181
F3	1.4049	2.4893		2.2788	2.2788	3.7123	2.7136	2.7136
F4	1.4028	2.5027	2.2788		2.2756	2.9501	2.7591	3.4256
F5	1.4028	2.5027	2.2788	2.2756		2.9501	3.4256	2.7591
F6	2.5117	1.4046	3.7123	2.9501	2.9501		2.0879	2.0879
H7	2.2384	1.1181	2.7136	2.7591	3.4256	2.0879		1.8113
H8	2.2384	1.1181	2.7136	3.4256	2.7591	2.0879	1.8113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.289	C1	C2	H7	107.379
C1	C2	H8	107.379	C2	C1	F3	109.782
C2	C1	F4	110.783	C2	C1	F5	110.783
F3	C1	F4	108.510	F3	C1	F5	108.510
F4	C1	F5	108.406	F6	C2	H7	111.209
F6	C2	H8	111.209	H7	C2	H8	108.192

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

using model chemistry: B3LYP/STO-3G

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	0.275
2	C	-0.057
3	F	-0.099
4	F	-0.096
5	F	-0.096
6	F	-0.088
7	H	0.080
8	H	0.080

	x	y	z	Total
	-0.666	0.788	0.000	1.032
CHELPG
AIM
ESP

	x	y	z
x	2.164	0.134	0.000
y	0.134	2.306	0.000
z	0.000	0.000	2.047

<r²>	143.563
(<r²>)^1/2	11.982

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

using model chemistry: B3LYP/STO-3G

States and conformations

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