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	hartrees
Energy at 0K	-177.414006
Energy at 298.15K	-177.419598
HF Energy	-177.107895
Nuclear repulsion energy	78.033895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3017	18.42
2	A'	3106	2945	5.34
3	A'	3102	2941	37.20
4	A'	1634	1549	0.19
5	A'	1605	1522	4.80
6	A'	1502	1423	8.53
7	A'	1491	1413	22.78
8	A'	1175	1114	17.14
9	A'	1071	1016	33.61
10	A'	910	863	5.26
11	A'	378	358	6.18
12	A"	3190	3024	30.00
13	A"	3142	2979	31.26
14	A"	1589	1507	4.65
15	A"	1365	1294	0.69
16	A"	1237	1173	4.36
17	A"	863	818	0.87
18	A"	266	252	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.576	0.000
C2	1.145	-0.441	0.000
F3	-1.248	-0.129	0.000
H4	0.045	1.211	0.889
H5	0.045	1.211	-0.889
H6	2.109	0.077	0.000
H7	1.080	-1.074	0.888
H8	1.080	-1.074	-0.888

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5315	1.4335	1.0937	1.0937	2.1673	2.1630	2.1630
C2	1.5315		2.4137	2.1749	2.1749	1.0936	1.0928	1.0928
F3	1.4335	2.4137		2.0641	2.0641	3.3634	2.6649	2.6649
H4	1.0937	2.1749	2.0641		1.7780	2.5173	2.5092	3.0746
H5	1.0937	2.1749	2.0641	1.7780		2.5173	3.0746	2.5092
H6	2.1673	1.0936	3.3634	2.5173	2.5173		1.7811	1.7811
H7	2.1630	1.0928	2.6649	2.5092	3.0746	1.7811		1.7755
H8	2.1630	1.0928	2.6649	3.0746	2.5092	1.7811	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.181	C1	C2	H7	109.889
C1	C2	H8	109.889	C2	C1	F3	108.945
C2	C1	H4	110.774	C2	C1	H5	110.774
F3	C1	H4	108.776	F3	C1	H5	108.776
H4	C1	H5	108.748	H6	C2	H7	109.098
H6	C2	H8	109.098	H7	C2	H8	108.656

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)