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	hartrees
Energy at 0K	-117.558548
Energy at 298.15K
HF Energy	-117.080609
Nuclear repulsion energy	70.531783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3290	3121
2	A'	3203	3038
3	A'	3193	3028
4	A'	3173	3009
5	A'	3081	2922
6	A'	1729	1640
7	A'	1547	1467
8	A'	1492	1415
9	A'	1452	1377
10	A'	1344	1275
11	A'	1215	1152
12	A'	964	914
13	A'	944	895
14	A'	424	402
15	A"	3150	2988
16	A"	1531	1452
17	A"	1089	1033
18	A"	1020	968
19	A"	909	862
20	A"	581	551
21	A"	194	184

Atom	x (Å)	y (Å)	z (Å)
C1	-1.145	-0.495	0.000
C2	0.000	0.482	0.000
C3	1.297	0.134	0.000
H4	1.603	-0.907	0.000
H5	2.085	0.877	0.000
H6	-0.263	1.538	0.000
H7	-0.780	-1.524	0.000
H8	-1.779	-0.356	0.880
H9	-1.779	-0.356	-0.880

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5047	2.5209	2.7780	3.5086	2.2154	1.0917	1.0936	1.0936
C2	1.5047		1.3426	2.1209	2.1219	1.0876	2.1525	2.1540	2.1540
C3	2.5209	1.3426		1.0849	1.0831	2.0980	2.6576	3.2359	3.2359
H4	2.7780	2.1209	1.0849		1.8478	3.0749	2.4616	3.5371	3.5371
H5	3.5086	2.1219	1.0831	1.8478		2.4388	3.7381	4.1496	4.1496
H6	2.2154	1.0876	2.0980	3.0749	2.4388		3.1049	2.5800	2.5800
H7	1.0917	2.1525	2.6576	2.4616	3.7381	3.1049		1.7708	1.7708
H8	1.0936	2.1540	3.2359	3.5371	4.1496	2.5800	1.7708		1.7602
H9	1.0936	2.1540	3.2359	3.5371	4.1496	2.5800	1.7708	1.7602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.490	C1	C2	H6	116.503
C2	C1	H7	110.995	C2	C1	H8	111.002
C2	C1	H9	111.002	C2	C3	H4	121.410
C2	C3	H5	121.668	C3	C2	H6	119.006
H4	C3	H5	116.922	H7	C1	H8	108.257
H7	C1	H9	108.257	H8	C1	H9	107.185

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD(T)/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(T)/6-31G**

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)