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	hartrees
Energy at 0K	-574.615428
Energy at 298.15K	-574.618823
HF Energy	-573.511604
Nuclear repulsion energy	358.886333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3011	22.68
2	A'	1514	1427	3.25
3	A'	1371	1293	150.67
4	A'	1250	1179	204.94
5	A'	1170	1104	107.76
6	A'	896	845	54.67
7	A'	727	686	31.63
8	A'	574	541	15.82
9	A'	517	488	8.41
10	A'	364	343	0.04
11	A'	245	231	4.11
12	A"	1442	1360	16.74
13	A"	1281	1208	343.70
14	A"	1198	1130	98.67
15	A"	588	554	0.86
16	A"	417	393	1.32
17	A"	209	197	2.50
18	A"	76	72	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.116	-0.596	0.000
C2	-0.610	0.740	0.000
F3	1.445	-0.423	0.000
F4	-0.232	-1.300	1.093
F5	-0.232	-1.300	-1.093
F6	-0.232	1.430	-1.108
F7	-0.232	1.430	1.108
H8	-1.693	0.606	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5207	1.3394	1.3458	1.3458	2.3352	2.3352	2.1722
C2	1.5207		2.3612	2.3450	2.3450	1.3589	1.3589	1.0917
F3	1.3394	2.3612		2.1849	2.1849	2.7338	2.7338	3.3023
F4	1.3458	2.3450	2.1849		2.1855	3.5066	2.7299	2.6383
F5	1.3458	2.3450	2.1849	2.1855		2.7299	3.5066	2.6383
F6	2.3352	1.3589	2.7338	3.5066	2.7299		2.2165	2.0107
F7	2.3352	1.3589	2.7338	2.7299	3.5066	2.2165		2.0107
H8	2.1722	1.0917	3.3023	2.6383	2.6383	2.0107	2.0107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.244	C1	C2	F7	108.244
C1	C2	H8	111.447	C2	C1	F3	111.129
C2	C1	F4	109.634	C2	C1	F5	109.634
F3	C1	F4	108.910	F3	C1	F5	108.910
F4	C1	F5	108.577	F6	C2	F7	109.280
F6	C2	H8	109.788	F7	C2	H8	109.788

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

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 CF3CHF2 (pentafluoroethane)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)