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	hartrees
Energy at 0K	-474.721692
Energy at 298.15K	-474.725982
Nuclear repulsion energy	275.015209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	2960	16.92
2	A'	1607	1463	22.40
3	A'	1580	1439	13.45
4	A'	1423	1296	158.37
5	A'	1311	1194	289.66
6	A'	1201	1093	130.53
7	A'	910	829	21.98
8	A'	714	651	42.51
9	A'	586	534	12.04
10	A'	441	401	0.85
11	A'	235	214	3.65
12	A"	3319	3022	11.48
13	A"	1427	1300	183.72
14	A"	1310	1192	74.83
15	A"	1067	972	58.74
16	A"	570	519	3.14
17	A"	377	343	1.54
18	A"	122	111	7.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.358	0.191	0.000
C2	-1.152	0.239	0.000
F3	0.833	1.429	0.000
F4	0.833	-0.426	1.067
F5	0.833	-0.426	-1.067
F6	-1.637	-1.031	0.000
H7	-1.491	0.754	0.894
H8	-1.491	0.754	-0.894

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5105	1.3267	1.3206	1.3206	2.3390	2.1292	2.1292
C2	1.5105		2.3144	2.3495	2.3495	1.3592	1.0862	1.0862
F3	1.3267	2.3144		2.1401	2.1401	3.4860	2.5794	2.5794
F4	1.3206	2.3495	2.1401		2.1333	2.7577	2.6119	3.2615
F5	1.3206	2.3495	2.1401	2.1333		2.7577	3.2615	2.6119
F6	2.3390	1.3592	3.4860	2.7577	2.7577		2.0019	2.0019
H7	2.1292	1.0862	2.5794	2.6119	3.2615	2.0019		1.7884
H8	2.1292	1.0862	2.5794	3.2615	2.6119	2.0019	1.7884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.077	C1	C2	H7	109.069
C1	C2	H8	109.069	C2	C1	F3	109.153
C2	C1	F4	112.004	C2	C1	F5	112.004
F3	C1	F4	107.886	F3	C1	F5	107.886
F4	C1	F5	107.742	F6	C2	H7	109.392
F6	C2	H8	109.392	H7	C2	H8	110.815

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

using model chemistry: HF/aug-cc-pVDZ

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	1.830
2	C	0.706
3	F	-0.606
4	F	-0.599
5	F	-0.599
6	F	-0.581
7	H	-0.076
8	H	-0.076

	x	y	z	Total
	-1.475	1.709	0.000	2.257
CHELPG
AIM
ESP

	x	y	z
x	4.004	0.061	0.000
y	0.061	4.041	0.000
z	0.000	0.000	3.857

<r²>	131.429
(<r²>)^1/2	11.464

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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