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	hartrees
Energy at 0K	-117.731285
Energy at 298.15K
HF Energy	-117.116473
Nuclear repulsion energy	70.947320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3235	3099
2	A'	3173	3039
3	A'	3158	3026
4	A'	3116	2985
5	A'	3048	2920
6	A'	1711	1639
7	A'	1513	1450
8	A'	1465	1404
9	A'	1416	1357
10	A'	1330	1274
11	A'	1200	1149
12	A'	949	909
13	A'	938	899
14	A'	421	403
15	A"	3094	2964
16	A"	1500	1437
17	A"	1079	1034
18	A"	1027	984
19	A"	946	907
20	A"	595	570
21	A"	209	200

Atom	x (Å)	y (Å)	z (Å)
C1	-1.136	-0.494	0.000
C2	0.000	0.478	0.000
C3	1.288	0.136	0.000
H4	1.589	-0.901	0.000
H5	2.068	0.881	0.000
H6	-0.261	1.527	0.000
H7	-0.771	-1.519	0.000
H8	-1.769	-0.355	0.877
H9	-1.769	-0.355	-0.877

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4956	2.5052	2.7558	3.4871	2.2023	1.0880	1.0899	1.0899
C2	1.4956		1.3330	2.1045	2.1072	1.0807	2.1411	2.1427	2.1427
C3	2.5052	1.3330		1.0801	1.0783	2.0824	2.6424	3.2179	3.2179
H4	2.7558	2.1045	1.0801		1.8451	3.0531	2.4401	3.5133	3.5133
H5	3.4871	2.1072	1.0783	1.8451		2.4180	3.7179	4.1254	4.1254
H6	2.2023	1.0807	2.0824	3.0531	2.4180		3.0884	2.5654	2.5654
H7	1.0880	2.1411	2.6424	2.4401	3.7179	3.0884		1.7659	1.7659
H8	1.0899	2.1427	3.2179	3.5133	4.1254	2.5654	1.7659		1.7533
H9	1.0899	2.1427	3.2179	3.5133	4.1254	2.5654	1.7659	1.7533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.570	C1	C2	H6	116.555
C2	C1	H7	110.959	C2	C1	H8	110.965
C2	C1	H9	110.965	C2	C3	H4	121.050
C2	C3	H5	121.470	C3	C2	H6	118.875
H4	C3	H5	117.480	H7	C1	H8	108.360
H7	C1	H9	108.360	H8	C1	H9	107.095

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD(T)=FULL/cc-pVTZ

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: CCSD(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)