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	hartrees
Energy at 0K	-115.889850
Energy at 298.15K	-115.895232
HF Energy	-115.653142
Nuclear repulsion energy	69.223192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3500	3500
2	A'	3438	3438
3	A'	3400	3400
4	A'	3357	3357
5	A'	3265	3265
6	A'	1799	1799
7	A'	1681	1681
8	A'	1591	1591
9	A'	1556	1556
10	A'	1396	1396
11	A'	1272	1272
12	A'	1015	1015
13	A'	981	981
14	A'	428	428
15	A"	3413	3413
16	A"	1676	1676
17	A"	1151	1151
18	A"	1069	1069
19	A"	946	946
20	A"	588	588
21	A"	162	162

Atom	x (Å)	y (Å)	z (Å)
C1	-1.161	-0.525	0.000
C2	0.000	0.495	0.000
C3	1.314	0.156	0.000
H4	1.644	-0.900	0.000
H5	2.114	0.920	0.000
H6	-0.295	1.565	0.000
H7	-0.773	-1.566	0.000
H8	-1.804	-0.389	0.899
H9	-1.804	-0.389	-0.899

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5455	2.5671	2.8304	3.5794	2.2628	1.1114	1.1137	1.1137
C2	1.5455		1.3571	2.1565	2.1560	1.1100	2.2014	2.2011	2.2011
C3	2.5671	1.3571		1.1065	1.1061	2.1386	2.7056	3.2908	3.2908
H4	2.8304	2.1565	1.1065		1.8797	3.1364	2.5071	3.6005	3.6005
H5	3.5794	2.1560	1.1061	1.8797		2.4931	3.8096	4.2276	4.2276
H6	2.2628	1.1100	2.1386	3.1364	2.4931		3.1678	2.6279	2.6279
H7	1.1114	2.2014	2.7056	2.5071	3.8096	3.1678		1.8054	1.8054
H8	1.1137	2.2011	3.2908	3.6005	4.2276	2.6279	1.8054		1.7976
H9	1.1137	2.2011	3.2908	3.6005	4.2276	2.6279	1.8054	1.7976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.227	C1	C2	H6	115.914
C2	C1	H7	110.842	C2	C1	H8	110.682
C2	C1	H9	110.682	C2	C3	H4	121.842
C2	C3	H5	121.830	C3	C2	H6	119.858
H4	C3	H5	116.328	H7	C1	H8	108.459
H7	C1	H9	108.459	H8	C1	H9	107.613

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD(T)/STO-3G

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)/STO-3G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)