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	hartrees
Energy at 0K	-178.671678
Energy at 298.15K	-178.677307
HF Energy	-178.129213
Nuclear repulsion energy	79.136816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	2997	29.45
2	A'	3075	2933	35.53
3	A'	3062	2921	17.64
4	A'	1551	1480	0.57
5	A'	1521	1452	1.59
6	A'	1470	1403	31.68
7	A'	1426	1360	1.47
8	A'	1154	1101	36.77
9	A'	1107	1057	56.29
10	A'	912	870	14.97
11	A'	417	398	6.35
12	A"	3154	3009	47.05
13	A"	3119	2976	20.53
14	A"	1503	1434	4.16
15	A"	1329	1268	0.49
16	A"	1218	1162	5.52
17	A"	824	786	0.04
18	A"	272	260	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.560	0.000
C2	1.122	-0.460	0.000
F3	-1.225	-0.094	0.000
H4	0.039	1.196	0.892
H5	0.039	1.196	-0.892
H6	2.094	0.048	0.000
H7	1.058	-1.095	0.889
H8	1.058	-1.095	-0.889

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5173	1.3887	1.0956	1.0956	2.1558	2.1566	2.1566
C2	1.5173		2.3755	2.1707	2.1707	1.0963	1.0945	1.0945
F3	1.3887	2.3755		2.0140	2.0140	3.3216	2.6461	2.6461
H4	1.0956	2.1707	2.0140		1.7838	2.5172	2.5073	3.0754
H5	1.0956	2.1707	2.0140	1.7838		2.5172	3.0754	2.5073
H6	2.1558	1.0963	3.3216	2.5172	2.5172		1.7806	1.7806
H7	2.1566	1.0945	2.6461	2.5073	3.0754	1.7806		1.7781
H8	2.1566	1.0945	2.6461	3.0754	2.5073	1.7806	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.108	C1	C2	H7	110.277
C1	C2	H8	110.277	C2	C1	F3	109.585
C2	C1	H4	111.329	C2	C1	H5	111.329
F3	C1	H4	107.741	F3	C1	H5	107.741
H4	C1	H5	108.984	H6	C2	H7	108.744
H6	C2	H8	108.744	H7	C2	H8	108.648

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: QCISD/6-311G**

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 C2H5F (fluoroethane)

using model chemistry: QCISD/6-311G**

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)