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	hartrees
Energy at 0K	-117.337459
Energy at 298.15K	-117.343058
HF Energy	-117.025332
Nuclear repulsion energy	69.837751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3017	31.05
2	A'	3121	2943	5.99
3	A'	3108	2931	36.28
4	A'	3075	2900	16.51
5	A'	2999	2829	26.55
6	A'	1706	1609	4.31
7	A'	1552	1463	8.60
8	A'	1497	1412	0.90
9	A'	1473	1389	3.07
10	A'	1358	1281	0.25
11	A'	1220	1151	0.54
12	A'	983	927	2.76
13	A'	929	876	0.86
14	A'	432	407	0.53
15	A"	3059	2885	32.06
16	A"	1534	1447	6.45
17	A"	1112	1048	0.60
18	A"	1014	956	16.35
19	A"	932	879	41.96
20	A"	586	552	10.17
21	A"	181	171	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	-1.157	-0.504	0.000
C2	0.000	0.484	0.000
C3	1.310	0.143	0.000
H4	1.634	-0.903	0.000
H5	2.104	0.893	0.000
H6	-0.278	1.546	0.000
H7	-0.786	-1.543	0.000
H8	-1.796	-0.367	0.890
H9	-1.796	-0.367	-0.890

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5211	2.5493	2.8190	3.5472	2.2298	1.1032	1.1044	1.1044
C2	1.5211		1.3534	2.1437	2.1435	1.0974	2.1739	2.1779	2.1779
C3	2.5493	1.3534		1.0950	1.0929	2.1191	2.6886	3.2705	3.2705
H4	2.8190	2.1437	1.0950		1.8566	3.1073	2.5026	3.5839	3.5839
H5	3.5472	2.1435	1.0929	1.8566		2.4704	3.7791	4.1942	4.1942
H6	2.2298	1.0974	2.1191	3.1073	2.4704		3.1298	2.5992	2.5992
H7	1.1032	2.1739	2.6886	2.5026	3.7791	3.1298		1.7874	1.7874
H8	1.1044	2.1779	3.2705	3.5839	4.1942	2.5992	1.7874		1.7801
H9	1.1044	2.1779	3.2705	3.5839	4.1942	2.5992	1.7874	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.862	C1	C2	H6	115.818
C2	C1	H7	110.854	C2	C1	H8	111.099
C2	C1	H9	111.099	C2	C3	H4	121.869
C2	C3	H5	122.016	C3	C2	H6	119.320
H4	C3	H5	116.114	H7	C1	H8	108.126
H7	C1	H9	108.126	H8	C1	H9	107.394

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD/6-31G

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 CH2CHCH3 (Propene)

using model chemistry: CCSD/6-31G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)