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	hartrees
Energy at 0K	-474.661776
Energy at 298.15K	-474.666070
Nuclear repulsion energy	275.821465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	2940	16.66
2	A'	1646	1485	12.60
3	A'	1614	1457	22.18
4	A'	1456	1314	194.56
5	A'	1361	1229	292.38
6	A'	1234	1114	113.39
7	A'	927	837	19.34
8	A'	723	653	42.26
9	A'	594	536	13.32
10	A'	446	402	0.90
11	A'	233	211	4.04
12	A"	3321	2998	22.06
13	A"	1468	1325	204.76
14	A"	1340	1210	49.46
15	A"	1092	986	58.06
16	A"	578	521	4.32
17	A"	382	345	1.32
18	A"	117	105	7.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.357	0.192	0.000
C2	-1.150	0.236	0.000
F3	0.827	1.430	0.000
F4	0.827	-0.423	1.066
F5	0.827	-0.423	-1.066
F6	-1.621	-1.035	0.000
H7	-1.489	0.751	0.887
H8	-1.489	0.751	-0.887

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5071	1.3237	1.3177	1.3177	2.3278	2.1230	2.1230
C2	1.5071		2.3092	2.3402	2.3402	1.3555	1.0809	1.0809
F3	1.3237	2.3092		2.1380	2.1380	3.4739	2.5712	2.5712
F4	1.3177	2.3402	2.1380		2.1318	2.7389	2.6029	3.2493
F5	1.3177	2.3402	2.1380	2.1318		2.7389	3.2493	2.6029
F6	2.3278	1.3555	3.4739	2.7389	2.7389		1.9991	1.9991
H7	2.1230	1.0809	2.5712	2.6029	3.2493	1.9991		1.7744
H8	2.1230	1.0809	2.5712	3.2493	2.6029	1.9991	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.702	C1	C2	H7	109.126
C1	C2	H8	109.126	C2	C1	F3	109.151
C2	C1	F4	111.710	C2	C1	F5	111.710
F3	C1	F4	108.078	F3	C1	F5	108.078
F4	C1	F5	107.982	F6	C2	H7	109.762
F6	C2	H8	109.762	H7	C2	H8	110.333

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

using model chemistry: HF/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	1.045
2	C	0.124
3	F	-0.362
4	F	-0.351
5	F	-0.351
6	F	-0.388
7	H	0.142
8	H	0.142

	x	y	z	Total
	-1.355	1.660	0.000	2.143
CHELPG
AIM
ESP

	x	y	z
x	3.136	-0.009	0.000
y	-0.009	3.216	0.000
z	0.000	0.000	3.204

<r²>	130.181
(<r²>)^1/2	11.410

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

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

States and conformations

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