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	hartrees
Energy at 0K	-474.589523
Energy at 298.15K	-474.593421
Nuclear repulsion energy	272.616246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3000	2955	11.99
2	A'	1416	1395	4.74
3	A'	1398	1377	48.55
4	A'	1276	1257	131.28
5	A'	1174	1156	316.83
6	A'	1126	1109	49.99
7	A'	846	834	15.35
8	A'	648	638	29.68
9	A'	532	524	8.33
10	A'	398	392	0.78
11	A'	205	201	2.93
12	A"	3067	3021	3.54
13	A"	1276	1257	172.23
14	A"	1166	1148	82.09
15	A"	943	929	46.68
16	A"	509	502	1.92
17	A"	338	333	1.67
18	A"	101	99	5.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.356	0.190	0.000
C2	-1.148	0.240	0.000
F3	0.835	1.448	0.000
F4	0.835	-0.437	1.081
F5	0.835	-0.437	-1.081
F6	-1.646	-1.034	0.000
H7	-1.485	0.774	0.907
H8	-1.485	0.774	-0.907

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5045	1.3457	1.3381	1.3381	2.3462	2.1330	2.1330
C2	1.5045		2.3215	2.3572	2.3572	1.3678	1.1048	1.1048
F3	1.3457	2.3215		2.1727	2.1727	3.5087	2.5796	2.5796
F4	1.3381	2.3572	2.1727		2.1613	2.7705	2.6221	3.2855
F5	1.3381	2.3572	2.1727	2.1613		2.7705	3.2855	2.6221
F6	2.3462	1.3678	3.5087	2.7705	2.7705		2.0291	2.0291
H7	2.1330	1.1048	2.5796	2.6221	3.2855	2.0291		1.8134
H8	2.1330	1.1048	2.5796	3.2855	2.6221	2.0291	1.8134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.445	C1	C2	H7	108.693
C1	C2	H8	108.693	C2	C1	F3	108.947
C2	C1	F4	111.909	C2	C1	F5	111.909
F3	C1	F4	108.107	F3	C1	F5	108.107
F4	C1	F5	107.722	F6	C2	H7	109.839
F6	C2	H8	109.839	H7	C2	H8	110.302

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	0.683
2	C	-0.117
3	F	-0.246
4	F	-0.238
5	F	-0.238
6	F	-0.256
7	H	0.206
8	H	0.206

	x	y	z	Total
	-1.350	1.593	0.000	2.089
CHELPG
AIM
ESP

	x	y	z
x	4.400	0.058	0.000
y	0.058	4.497	0.000
z	0.000	0.000	4.294

<r²>	133.188
(<r²>)^1/2	11.541

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

using model chemistry: LSDA/6-31+G**

States and conformations

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