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	hartrees
Energy at 0K	-117.743659
Energy at 298.15K
HF Energy	-117.119668
Nuclear repulsion energy	70.769939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3230	3230
2	A'	3152	3152
3	A'	3139	3139
4	A'	3113	3113
5	A'	3030	3030
6	A'	1697	1697
7	A'	1503	1503
8	A'	1461	1461
9	A'	1413	1413
10	A'	1327	1327
11	A'	1195	1195
12	A'	946	946
13	A'	932	932
14	A'	420	420
15	A"	3090	3090
16	A"	1490	1490
17	A"	1072	1072
18	A"	1017	1017
19	A"	928	928
20	A"	588	588
21	A"	203	203

Atom	x (Å)	y (Å)	z (Å)
C1	-1.140	-0.496	0.000
C2	0.000	0.480	0.000
C3	1.291	0.136	0.000
H4	1.593	-0.904	0.000
H5	2.074	0.881	0.000
H6	-0.261	1.533	0.000
H7	-0.773	-1.522	0.000
H8	-1.772	-0.355	0.878
H9	-1.772	-0.355	-0.878

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5005	2.5117	2.7632	3.4960	2.2108	1.0895	1.0912	1.0912
C2	1.5005		1.3365	2.1104	2.1122	1.0843	2.1462	2.1468	2.1468
C3	2.5117	1.3365		1.0824	1.0805	2.0881	2.6477	3.2243	3.2243
H4	2.7632	2.1104	1.0824		1.8482	3.0616	2.4460	3.5210	3.5210
H5	3.4960	2.1122	1.0805	1.8482		2.4238	3.7255	4.1339	4.1339
H6	2.2108	1.0843	2.0881	3.0616	2.4238		3.0973	2.5728	2.5728
H7	1.0895	2.1462	2.6477	2.4460	3.7255	3.0973		1.7692	1.7692
H8	1.0912	2.1468	3.2243	3.5210	4.1339	2.5728	1.7692		1.7562
H9	1.0912	2.1468	3.2243	3.5210	4.1339	2.5728	1.7692	1.7562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.486	C1	C2	H6	116.669
C2	C1	H7	110.928	C2	C1	H8	110.870
C2	C1	H9	110.870	C2	C3	H4	121.133
C2	C3	H5	121.465	C3	C2	H6	118.845
H4	C3	H5	117.401	H7	C1	H8	108.443
H7	C1	H9	108.443	H8	C1	H9	107.159

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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: QCISD(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)