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	hartrees
Energy at 0K	-117.581032
Energy at 298.15K
HF Energy	-117.085151
Nuclear repulsion energy	69.896040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3224	3224
2	A'	3142	3142
3	A'	3125	3125
4	A'	3096	3096
5	A'	3006	3006
6	A'	1678	1678
7	A'	1477	1477
8	A'	1438	1438
9	A'	1385	1385
10	A'	1305	1305
11	A'	1178	1178
12	A'	927	927
13	A'	923	923
14	A'	413	413
15	A"	3073	3073
16	A"	1459	1459
17	A"	1049	1049
18	A"	996	996
19	A"	921	921
20	A"	570	570
21	A"	196	196

Atom	x (Å)	y (Å)	z (Å)
C1	-1.154	-0.495	0.000
C2	0.000	0.485	0.000
C3	1.308	0.131	0.000
H4	1.613	-0.924	0.000
H5	2.104	0.884	0.000
H6	-0.260	1.553	0.000
H7	-0.790	-1.537	0.000
H8	-1.795	-0.348	0.890
H9	-1.795	-0.348	-0.890

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5141	2.5410	2.8010	3.5382	2.2347	1.1044	1.1063	1.1063
C2	1.5141		1.3554	2.1418	2.1415	1.0997	2.1709	2.1699	2.1699
C3	2.5410	1.3554		1.0978	1.0956	2.1177	2.6805	3.2638	3.2638
H4	2.8010	2.1418	1.0978		1.8732	3.1060	2.4804	3.5695	3.5695
H5	3.5382	2.1415	1.0956	1.8732		2.4573	3.7732	4.1849	4.1849
H6	2.2347	1.0997	2.1177	3.1060	2.4573		3.1356	2.6006	2.6006
H7	1.1044	2.1709	2.6805	2.4804	3.7732	3.1356		1.7934	1.7934
H8	1.1063	2.1699	3.2638	3.5695	4.1849	2.6006	1.7934		1.7800
H9	1.1063	2.1699	3.2638	3.5695	4.1849	2.6006	1.7934	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.540	C1	C2	H6	116.618
C2	C1	H7	111.041	C2	C1	H8	110.843
C2	C1	H9	110.843	C2	C3	H4	121.280
C2	C3	H5	121.424	C3	C2	H6	118.843
H4	C3	H5	117.297	H7	C1	H8	108.430
H7	C1	H9	108.430	H8	C1	H9	107.123

All results from a given calculation for CH₂CHCH₃ (Propene)

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

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)