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	hartrees
Energy at 0K	-116.741338
Energy at 298.15K	-116.746924
HF Energy	-116.421187
Nuclear repulsion energy	69.904173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3178	3031
2	A'	3107	2963
3	A'	3096	2952
4	A'	3071	2929
5	A'	3002	2863
6	A'	1672	1595
7	A'	1570	1498
8	A'	1500	1431
9	A'	1468	1400
10	A'	1357	1294
11	A'	1212	1155
12	A'	992	946
13	A'	886	845
14	A'	435	414
15	A"	3055	2914
16	A"	1558	1486
17	A"	1110	1058
18	A"	1012	965
19	A"	928	885
20	A"	578	552
21	A"	182	173

Atom	x (Å)	y (Å)	z (Å)
C1	-1.154	-0.514	0.000
C2	0.000	0.490	0.000
C3	1.304	0.149	0.000
H4	1.624	-0.896	0.000
H5	2.098	0.898	0.000
H6	-0.285	1.547	0.000
H7	-0.765	-1.544	0.000
H8	-1.788	-0.379	0.891
H9	-1.788	-0.379	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5294	2.5458	2.8039	3.5450	2.2361	1.1008	1.1020	1.1020
C2	1.5294		1.3481	2.1350	2.1375	1.0944	2.1732	2.1786	2.1786
C3	2.5458	1.3481		1.0928	1.0910	2.1166	2.6740	3.2613	3.2613
H4	2.8039	2.1350	1.0928		1.8548	3.1003	2.4758	3.5644	3.5644
H5	3.5450	2.1375	1.0910	1.8548		2.4706	3.7631	4.1866	4.1866
H6	2.2361	1.0944	2.1166	3.1003	2.4706		3.1277	2.6001	2.6001
H7	1.1008	2.1732	2.6740	2.4758	3.7631	3.1277		1.7879	1.7879
H8	1.1020	2.1786	3.2613	3.5644	4.1866	2.6001	1.7879		1.7815
H9	1.1020	2.1786	3.2613	3.5644	4.1866	2.6001	1.7879	1.7815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.319	C1	C2	H6	115.919
C2	C1	H7	110.376	C2	C1	H8	110.732
C2	C1	H9	110.732	C2	C3	H4	121.668
C2	C3	H5	122.053	C3	C2	H6	119.762
H4	C3	H5	116.279	H7	C1	H8	108.523
H7	C1	H9	108.523	H8	C1	H9	107.871

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD(T)/3-21G*

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)/3-21G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)