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	hartrees
Energy at 0K
Energy at 298.15K	-0.001790
HF Energy	-0.001790
Nuclear repulsion energy	59.966915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3152	3005	1.42	124.05	0.02	0.04
2	A'	3112	2967	7.83	188.71	0.09	0.17
3	A'	3047	2905	1.66	188.68	0.73	0.84
4	A'	1435	1369	0.52	27.41	0.40	0.57
5	A'	1392	1327	5.11	37.50	0.71	0.83
6	A'	1388	1323	2.60	36.90	0.71	0.83
7	A'	1275	1216	13.37	52.23	0.50	0.67
8	A'	1231	1174	7.98	18.74	0.33	0.50
9	A'	1041	993	7.16	16.47	0.72	0.84
10	A'	615	587	12.42	45.25	0.38	0.55
11	A'	262	249	0.80	6.19	0.58	0.74
12	A"	3066	2924	12.35	10.52	0.75	0.86
13	A"	3042	2900	4.12	229.58	0.75	0.86
14	A"	1386	1322	2.33	56.78	0.75	0.86
15	A"	1185	1130	0.34	21.71	0.75	0.86
16	A"	973	928	2.47	15.42	0.75	0.86
17	A"	749	714	2.23	11.24	0.75	0.86
18	A"	171	163	0.05	0.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.586	-1.364	0.000
C2	-0.562	-2.325	0.000
I3	0.000	0.621	0.000
H4	1.220	-1.507	0.905
H5	1.220	-1.507	-0.905
H6	-0.174	-3.375	0.000
H7	-1.203	-2.194	0.906
H8	-1.203	-2.194	-0.906

	C1	C2	I3	H4	H5	H6	H7	H8
C1		1.4970	2.0696	1.1142	1.1142	2.1498	2.1700	2.1700
C2	1.4970		2.9989	2.1592	2.1592	1.1195	1.1175	1.1175
I3	2.0696	2.9989		2.6147	2.6147	3.9997	3.1925	3.1925
H4	1.1142	2.1592	2.6147		1.8098	2.5000	2.5178	3.1017
H5	1.1142	2.1592	2.6147	1.8098		2.5000	3.1017	2.5178
H6	2.1498	1.1195	3.9997	2.5000	2.5000		1.8093	1.8093
H7	2.1700	1.1175	3.1925	2.5178	3.1017	1.8093		1.8130
H8	2.1700	1.1175	3.1925	3.1017	2.5178	1.8093	1.8130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.656	C1	C2	H7	111.369
C1	C2	H8	111.369	C2	C1	I3	113.484
C2	C1	H4	110.715	C2	C1	H5	110.715
I3	C1	H4	106.532	I3	C1	H5	106.532
H4	C1	H5	108.621	H6	C2	H7	107.953
H6	C2	H8	107.953	H7	C2	H8	108.416

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

using model chemistry: AM1

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: AM1

States and conformations

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