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	hartrees
Energy at 0K	-474.847303
Energy at 298.15K	-474.851647
Nuclear repulsion energy	276.485942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	2938	18.40
2	A'	1630	1483	13.10
3	A'	1600	1456	17.76
4	A'	1440	1310	193.36
5	A'	1342	1221	292.58
6	A'	1230	1120	131.53
7	A'	926	843	16.39
8	A'	731	665	41.99
9	A'	601	547	12.11
10	A'	449	409	0.76
11	A'	239	217	3.74
12	A"	3287	2992	17.14
13	A"	1452	1321	197.11
14	A"	1335	1215	69.83
15	A"	1084	986	59.17
16	A"	586	534	3.57
17	A"	382	348	1.22
18	A"	121	110	6.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.362	0.189	0.000
C2	-1.149	0.235	0.000
F3	0.830	1.419	0.000
F4	0.830	-0.424	1.060
F5	0.830	-0.424	-1.060
F6	-1.636	-1.021	0.000
H7	-1.482	0.754	0.887
H8	-1.482	0.754	-0.887

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5112	1.3167	1.3113	1.3113	2.3351	2.1223	2.1223
C2	1.5112		2.3061	2.3399	2.3399	1.3472	1.0800	1.0800
F3	1.3167	2.3061		2.1268	2.1268	3.4691	2.5640	2.5640
F4	1.3113	2.3399	2.1268		2.1204	2.7494	2.6007	3.2441
F5	1.3113	2.3399	2.1268	2.1204		2.7494	3.2441	2.6007
F6	2.3351	1.3472	3.4691	2.7494	2.7494		1.9901	1.9901
H7	2.1223	1.0800	2.5640	2.6007	3.2441	1.9901		1.7737
H8	2.1223	1.0800	2.5640	3.2441	2.6007	1.9901	1.7737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.417	C1	C2	H7	108.841
C1	C2	H8	108.841	C2	C1	F3	109.078
C2	C1	F4	111.805	C2	C1	F5	111.805
F3	C1	F4	108.056	F3	C1	F5	108.056
F4	C1	F5	107.904	F6	C2	H7	109.660
F6	C2	H8	109.660	H7	C2	H8	110.399

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

using model chemistry: HF/cc-pVTZ

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	0.620
2	C	0.143
3	F	-0.223
4	F	-0.212
5	F	-0.212
6	F	-0.265
7	H	0.075
8	H	0.075

	x	y	z	Total
	-1.389	1.631	0.000	2.142
CHELPG
AIM
ESP

	x	y	z
x	3.527	0.029	0.000
y	0.029	3.596	0.000
z	0.000	0.000	3.469

<r²>	130.162
(<r²>)^1/2	11.409

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

using model chemistry: HF/cc-pVTZ

States and conformations

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