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	hartrees
Energy at 0K	-475.589994
Energy at 298.15K	-475.594040
HF Energy	-474.654690
Nuclear repulsion energy	271.516162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3152	2972	11.29
2	A'	1567	1478	5.34
3	A'	1507	1421	24.69
4	A'	1361	1283	140.14
5	A'	1245	1174	263.14
6	A'	1143	1078	70.28
7	A'	865	816	19.86
8	A'	668	630	31.10
9	A'	549	518	9.53
10	A'	413	389	0.78
11	A'	216	204	3.26
12	A"	3224	3040	12.54
13	A"	1364	1286	141.28
14	A"	1246	1175	62.05
15	A"	1021	963	60.22
16	A"	529	499	2.66
17	A"	358	338	1.37
18	A"	115	108	5.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.362	0.200	0.000
C2	-1.152	0.234	0.000
F3	0.829	1.468	0.000
F4	0.829	-0.433	1.090
F5	0.829	-0.433	-1.090
F6	-1.628	-1.061	0.000
H7	-1.489	0.762	0.896
H8	-1.489	0.762	-0.896

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5142	1.3508	1.3437	1.3437	2.3561	2.1319	2.1319
C2	1.5142		2.3334	2.3568	2.3568	1.3798	1.0933	1.0933
F3	1.3508	2.3334		2.1905	2.1905	3.5257	2.5831	2.5831
F4	1.3437	2.3568	2.1905		2.1793	2.7603	2.6150	3.2775
F5	1.3437	2.3568	2.1905	2.1793		2.7603	3.2775	2.6150
F6	2.3561	1.3798	3.5257	2.7603	2.7603		2.0362	2.0362
H7	2.1319	1.0933	2.5831	2.6150	3.2775	2.0362		1.7913
H8	2.1319	1.0933	2.5831	3.2775	2.6150	2.0362	1.7913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.918	C1	C2	H7	108.615
C1	C2	H8	108.615	C2	C1	F3	108.936
C2	C1	F4	110.969	C2	C1	F5	110.969
F3	C1	F4	108.771	F3	C1	F5	108.771
F4	C1	F5	108.372	F6	C2	H7	110.313
F6	C2	H8	110.313	H7	C2	H8	110.021

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

using model chemistry: MP2/6-31G*

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

using model chemistry: MP2/6-31G*

States and conformations

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