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	hartrees
Energy at 0K	-117.304897
Energy at 298.15K	-117.310510
HF Energy	-117.037677
Nuclear repulsion energy	69.746921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3014	41.92
2	A'	3186	2937	17.48
3	A'	3163	2916	33.29
4	A'	3136	2891	22.52
5	A'	3043	2805	36.04
6	A'	1726	1591	9.71
7	A'	1555	1434	15.44
8	A'	1506	1388	2.51
9	A'	1479	1364	4.76
10	A'	1360	1254	0.00
11	A'	1232	1135	1.23
12	A'	980	904	4.02
13	A'	936	863	1.27
14	A'	428	394	0.57
15	A"	3114	2870	42.18
16	A"	1536	1416	9.90
17	A"	1117	1029	1.55
18	A"	1032	952	26.38
19	A"	927	854	58.52
20	A"	592	546	15.16
21	A"	191	176	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	-1.160	-0.508	0.000
C2	0.000	0.485	0.000
C3	1.314	0.146	0.000
H4	1.637	-0.897	0.000
H5	2.100	0.901	0.000
H6	-0.273	1.545	0.000
H7	-0.791	-1.546	0.000
H8	-1.797	-0.367	0.889
H9	-1.797	-0.367	-0.889

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5273	2.5586	2.8237	3.5518	2.2370	1.1008	1.1027	1.1027
C2	1.5273		1.3567	2.1423	2.1409	1.0950	2.1791	2.1784	2.1784
C3	2.5586	1.3567		1.0918	1.0905	2.1160	2.6997	3.2754	3.2754
H4	2.8237	2.1423	1.0918		1.8570	3.1008	2.5126	3.5861	3.5861
H5	3.5518	2.1409	1.0905	1.8570		2.4594	3.7873	4.1935	4.1935
H6	2.2370	1.0950	2.1160	3.1008	2.4594		3.1338	2.6019	2.6019
H7	1.1008	2.1791	2.6997	2.5126	3.7873	3.1338		1.7862	1.7862
H8	1.1027	2.1784	3.2754	3.5861	4.1935	2.6019	1.7862		1.7784
H9	1.1027	2.1784	3.2754	3.5861	4.1935	2.6019	1.7862	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.937	C1	C2	H6	116.119
C2	C1	H7	110.980	C2	C1	H8	110.814
C2	C1	H9	110.814	C2	C3	H4	121.703
C2	C3	H5	121.671	C3	C2	H6	118.944
H4	C3	H5	116.627	H7	C1	H8	108.310
H7	C1	H9	108.310	H8	C1	H9	107.490

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CISD/SDD

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: CISD/SDD

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)