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	hartrees
Energy at 0K	-178.579232
Energy at 298.15K	-178.584844
HF Energy	-178.093598
Nuclear repulsion energy	78.994044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3033	18.81
2	A'	3155	2963	36.04
3	A'	3132	2942	10.79
4	A'	1573	1477	0.21
5	A'	1549	1455	2.61
6	A'	1471	1381	30.03
7	A'	1435	1348	5.37
8	A'	1153	1083	12.33
9	A'	1091	1025	86.67
10	A'	905	850	27.04
11	A'	414	389	7.25
12	A"	3251	3053	29.59
13	A"	3219	3023	14.55
14	A"	1531	1438	6.00
15	A"	1326	1245	0.04
16	A"	1215	1142	4.51
17	A"	833	782	0.27
18	A"	267	251	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.563	0.000
C2	1.134	-0.428	0.000
F3	-1.230	-0.131	0.000
H4	0.004	1.191	0.889
H5	0.004	1.191	-0.889
H6	2.086	0.102	0.000
H7	1.086	-1.058	0.885
H8	1.086	-1.058	-0.885

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5062	1.4123	1.0882	1.0882	2.1364	2.1423	2.1423
C2	1.5062		2.3826	2.1656	2.1656	1.0896	1.0869	1.0869
F3	1.4123	2.3826		2.0150	2.0150	3.3242	2.6467	2.6467
H4	1.0882	2.1656	2.0150		1.7770	2.5124	2.4960	3.0617
H5	1.0882	2.1656	2.0150	1.7770		2.5124	3.0617	2.4960
H6	2.1364	1.0896	3.3242	2.5124	2.5124		1.7685	1.7685
H7	2.1423	1.0869	2.6467	2.4960	3.0617	1.7685		1.7691
H8	2.1423	1.0869	2.6467	3.0617	2.4960	1.7685	1.7691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.738	C1	C2	H7	110.366
C1	C2	H8	110.366	C2	C1	F3	109.405
C2	C1	H4	112.168	C2	C1	H5	112.168
F3	C1	H4	106.664	F3	C1	H5	106.664
H4	C1	H5	109.476	H6	C2	H7	108.690
H6	C2	H8	108.690	H7	C2	H8	108.949

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: MP2=FULL/6-31+G**

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: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)