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	hartrees
Energy at 0K	-476.679766
Energy at 298.15K	-476.683781
HF Energy	-476.679766
Nuclear repulsion energy	271.574596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3109	2961	12.76
2	A'	1507	1435	6.50
3	A'	1454	1384	19.29
4	A'	1313	1250	153.38
5	A'	1197	1140	294.91
6	A'	1127	1073	103.86
7	A'	850	809	17.95
8	A'	663	631	34.24
9	A'	545	519	8.94
10	A'	409	390	0.72
11	A'	219	208	3.43
12	A"	3181	3029	6.89
13	A"	1322	1259	148.89
14	A"	1213	1155	100.72
15	A"	987	940	65.01
16	A"	528	503	2.08
17	A"	353	336	1.70
18	A"	108	102	6.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.366	0.192	0.000
C2	-1.159	0.237	0.000
F3	0.842	1.451	0.000
F4	0.842	-0.434	1.083
F5	0.842	-0.434	-1.083
F6	-1.664	-1.039	0.000
H7	-1.497	0.763	0.897
H8	-1.497	0.763	-0.897

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5260	1.3449	1.3379	1.3379	2.3744	2.1457	2.1457
C2	1.5260		2.3398	2.3715	2.3715	1.3722	1.0933	1.0933
F3	1.3449	2.3398		2.1732	2.1732	3.5319	2.5979	2.5979
F4	1.3379	2.3715	2.1732		2.1652	2.7956	2.6339	3.2896
F5	1.3379	2.3715	2.1732	2.1652		2.7956	3.2896	2.6339
F6	2.3744	1.3722	3.5319	2.7956	2.7956		2.0192	2.0192
H7	2.1457	1.0933	2.5979	2.6339	3.2896	2.0192		1.7939
H8	2.1457	1.0933	2.5979	3.2896	2.6339	2.0192	1.7939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.913	C1	C2	H7	108.884
C1	C2	H8	108.884	C2	C1	F3	109.012
C2	C1	F4	111.637	C2	C1	F5	111.637
F3	C1	F4	108.204	F3	C1	F5	108.204
F4	C1	F5	108.030	F6	C2	H7	109.450
F6	C2	H8	109.450	H7	C2	H8	110.248

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

using model chemistry: wB97X-D/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	0.805
2	C	0.008
3	F	-0.300
4	F	-0.292
5	F	-0.292
6	F	-0.296
7	H	0.183
8	H	0.183

	x	y	z	Total
	-1.409	1.688	0.000	2.198
CHELPG
AIM
ESP

	x	y	z
x	4.109	0.069	0.000
y	0.069	4.219	0.000
z	0.000	0.000	4.033

<r²>	134.245
(<r²>)^1/2	11.586

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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