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	hartrees
Energy at 0K	-117.578989
Energy at 298.15K
HF Energy	-117.084531
Nuclear repulsion energy	69.882369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3225	3154
2	A'	3143	3073
3	A'	3127	3058
4	A'	3099	3030
5	A'	3010	2943
6	A'	1679	1642
7	A'	1476	1443
8	A'	1437	1406
9	A'	1384	1353
10	A'	1305	1276
11	A'	1178	1152
12	A'	928	908
13	A'	925	904
14	A'	414	405
15	A"	3076	3008
16	A"	1459	1426
17	A"	1047	1023
18	A"	987	965
19	A"	911	891
20	A"	570	557
21	A"	199	195

Atom	x (Å)	y (Å)	z (Å)
C1	-1.155	-0.495	0.000
C2	0.000	0.485	0.000
C3	1.308	0.131	0.000
H4	1.613	-0.925	0.000
H5	2.104	0.885	0.000
H6	-0.260	1.554	0.000
H7	-0.789	-1.538	0.000
H8	-1.795	-0.349	0.891
H9	-1.795	-0.349	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5142	2.5412	2.8008	3.5388	2.2358	1.1051	1.1068	1.1068
C2	1.5142		1.3554	2.1419	2.1419	1.1007	2.1709	2.1705	2.1705
C3	2.5412	1.3554		1.0983	1.0963	2.1181	2.6801	3.2642	3.2642
H4	2.8008	2.1419	1.0983		1.8746	3.1069	2.4792	3.5695	3.5695
H5	3.5388	2.1419	1.0963	1.8746		2.4573	3.7735	4.1857	4.1857
H6	2.2358	1.1007	2.1181	3.1069	2.4573		3.1369	2.6022	2.6022
H7	1.1051	2.1709	2.6801	2.4792	3.7735	3.1369		1.7942	1.7942
H8	1.1068	2.1705	3.2642	3.5695	4.1857	2.6022	1.7942		1.7813
H9	1.1068	2.1705	3.2642	3.5695	4.1857	2.6022	1.7942	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.549	C1	C2	H6	116.644
C2	C1	H7	110.995	C2	C1	H8	110.855
C2	C1	H9	110.855	C2	C3	H4	121.249
C2	C3	H5	121.410	C3	C2	H6	118.807
H4	C3	H5	117.341	H7	C1	H8	108.419
H7	C1	H9	108.419	H8	C1	H9	107.167

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD(T)/aug-cc-pVDZ

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)/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)