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	hartrees
Energy at 0K	-476.703597
Energy at 298.15K	-476.707426
Nuclear repulsion energy	268.011862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2983	2960	19.75
2	A'	1473	1462	2.44
3	A'	1410	1399	4.63
4	A'	1249	1239	152.44
5	A'	1134	1126	246.88
6	A'	1069	1061	72.57
7	A'	804	798	15.42
8	A'	628	623	25.10
9	A'	517	513	6.67
10	A'	388	385	0.52
11	A'	204	203	2.52
12	A"	3036	3013	23.85
13	A"	1276	1266	92.86
14	A"	1169	1160	81.62
15	A"	952	945	72.05
16	A"	500	496	1.12
17	A"	335	333	1.04
18	A"	102	101	3.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.365	0.193	0.000
C2	-1.165	0.244	0.000
F3	0.849	1.474	0.000
F4	0.849	-0.445	1.101
F5	0.849	-0.445	-1.101
F6	-1.679	-1.050	0.000
H7	-1.501	0.782	0.901
H8	-1.501	0.782	-0.901

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5311	1.3701	1.3614	1.3614	2.3921	2.1543	2.1543
C2	1.5311		2.3603	2.3968	2.3968	1.3925	1.1023	1.1023
F3	1.3701	2.3603		2.2125	2.2125	3.5727	2.6100	2.6100
F4	1.3614	2.3968	2.2125		2.2029	2.8232	2.6583	3.3224
F5	1.3614	2.3968	2.2125	2.2029		2.8232	3.3224	2.6583
F6	2.3921	1.3925	3.5727	2.8232	2.8232		2.0502	2.0502
H7	2.1543	1.1023	2.6100	2.6583	3.3224	2.0502		1.8030
H8	2.1543	1.1023	2.6100	3.3224	2.6583	2.0502	1.8030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.722	C1	C2	H7	108.690
C1	C2	H8	108.690	C2	C1	F3	108.768
C2	C1	F4	111.783	C2	C1	F5	111.783
F3	C1	F4	108.189	F3	C1	F5	108.189
F4	C1	F5	108.007	F6	C2	H7	109.988
F6	C2	H8	109.988	H7	C2	H8	109.733

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.683
2	C	0.062
3	F	-0.239
4	F	-0.229
5	F	-0.229
6	F	-0.269
7	H	0.110
8	H	0.110

	x	y	z	Total
	-1.072	1.307	0.000	1.690
CHELPG
AIM
ESP

	x	y	z
x	3.675	0.023	0.000
y	0.023	3.745	0.000
z	0.000	0.000	3.639

<r²>	136.290
(<r²>)^1/2	11.674

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

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

States and conformations

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