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	hartrees
Energy at 0K	-6966.308961
Energy at 298.15K
HF Energy	-6966.055687
Nuclear repulsion energy	209.575100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3104	3010
2	A'	3091	2997
3	A'	3030	2938
4	A'	1577	1529
5	A'	1544	1497
6	A'	1481	1436
7	A'	1305	1265
8	A'	1073	1041
9	A'	964	935
10	A'	502	487
11	A'	257	250
12	A"	3161	3065
13	A"	3115	3021
14	A"	1569	1521
15	A"	1316	1277
16	A"	1042	1011
17	A"	767	744
18	A"	257	249

Atom	x (Å)	y (Å)	z (Å)
C1	0.621	-1.482	0.000
C2	-0.591	-2.441	0.000
I3	0.000	0.657	0.000
H4	1.238	-1.609	0.895
H5	1.238	-1.609	-0.895
H6	-0.228	-3.480	0.000
H7	-1.213	-2.286	0.891
H8	-1.213	-2.286	-0.891

	C1	C2	I3	H4	H5	H6	H7	H8
C1		1.5456	2.2276	1.0941	1.0941	2.1706	2.1917	2.1917
C2	1.5456		3.1537	2.2000	2.2000	1.1011	1.0976	1.0976
I3	2.2276	3.1537		2.7324	2.7324	4.1433	3.3053	3.3053
H4	1.0941	2.2000	2.7324		1.7890	2.5399	2.5430	3.1074
H5	1.0941	2.2000	2.7324	1.7890		2.5399	3.1074	2.5430
H6	2.1706	1.1011	4.1433	2.5399	2.5399		1.7866	1.7866
H7	2.1917	1.0976	3.3053	2.5430	3.1074	1.7866		1.7826
H8	2.1917	1.0976	3.3053	3.1074	2.5430	1.7866	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.038	C1	C2	H7	110.894
C1	C2	H8	110.894	C2	C1	I3	112.141
C2	C1	H4	111.772	C2	C1	H5	111.772
I3	C1	H4	105.552	I3	C1	H5	105.552
H4	C1	H5	109.693	H6	C2	H7	108.689
H6	C2	H8	108.689	H7	C2	H8	108.582

All results from a given calculation for C₂H₅I (Ethyl iodide)

using model chemistry: MP4/3-21G

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 C2H5I (Ethyl iodide)

using model chemistry: MP4/3-21G

States and conformations

All results from a given calculation for C₂H₅I (Ethyl iodide)