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	hartrees
Energy at 0K	-107.618675
Energy at 298.15K	-107.622927
Nuclear repulsion energy	155.273505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3316	2978	31.95
2	A'	1641	1473	16.05
3	A'	1609	1444	15.38
4	A'	1440	1293	195.90
5	A'	1342	1205	319.90
6	A'	1226	1101	140.24
7	A'	920	826	19.48
8	A'	718	645	45.98
9	A'	590	530	14.26
10	A'	442	397	0.94
11	A'	235	211	4.44
12	A"	3384	3039	32.17
13	A"	1451	1303	228.01
14	A"	1329	1193	64.19
15	A"	1081	971	63.60
16	A"	576	517	4.92
17	A"	373	335	0.97
18	A"	116	104	8.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.365	0.190	0.000
C2	-1.164	0.241	0.000
F3	0.839	1.432	0.000
F4	0.839	-0.428	1.070
F5	0.839	-0.428	-1.070
F6	-1.651	-1.030	0.000
H7	-1.500	0.757	0.894
H8	-1.500	0.757	-0.894

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5294	1.3299	1.3237	1.3237	2.3564	2.1446	2.1446
C2	1.5294		2.3303	2.3672	2.3672	1.3611	1.0861	1.0861
F3	1.3299	2.3303		2.1463	2.1463	3.5020	2.5936	2.5936
F4	1.3237	2.3672	2.1463		2.1407	2.7766	2.6280	3.2765
F5	1.3237	2.3672	2.1463	2.1407		2.7766	3.2765	2.6280
F6	2.3564	1.3611	3.5020	2.7766	2.7766		2.0041	2.0041
H7	2.1446	1.0861	2.5936	2.6280	3.2765	2.0041		1.7887
H8	2.1446	1.0861	2.5936	3.2765	2.6280	2.0041	1.7887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.077	C1	C2	H7	108.988
C1	C2	H8	108.988	C2	C1	F3	108.974
C2	C1	F4	111.937	C2	C1	F5	111.937
F3	C1	F4	107.961	F3	C1	F5	107.961
F4	C1	F5	107.917	F6	C2	H7	109.445
F6	C2	H8	109.445	H7	C2	H8	110.869

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

using model chemistry: HF/CEP-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	0.472
2	C	0.079
3	F	-0.198
4	F	-0.187
5	F	-0.187
6	F	-0.278
7	H	0.150
8	H	0.150

	x	y	z	Total
	-1.466	1.782	0.000	2.307
CHELPG
AIM
ESP

	x	y	z
x	3.197	0.025	0.000
y	0.025	3.281	0.000
z	0.000	0.000	3.145

<r²>	108.210
(<r²>)^1/2	10.402

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

using model chemistry: HF/CEP-31G*

States and conformations

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