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	hartrees
Energy at 0K	-117.589117
Energy at 298.15K
HF Energy	-117.085382
Nuclear repulsion energy	69.961167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3230	3230
2	A'	3148	3148
3	A'	3131	3131
4	A'	3102	3102
5	A'	3011	3011
6	A'	1682	1682
7	A'	1479	1479
8	A'	1439	1439
9	A'	1387	1387
10	A'	1306	1306
11	A'	1179	1179
12	A'	928	928
13	A'	924	924
14	A'	413	413
15	A"	3079	3079
16	A"	1461	1461
17	A"	1051	1051
18	A"	997	997
19	A"	922	922
20	A"	571	571
21	A"	197	197

Atom	x (Å)	y (Å)	z (Å)
C1	-1.154	-0.494	0.000
C2	0.000	0.484	0.000
C3	1.307	0.130	0.000
H4	1.613	-0.923	0.000
H5	2.102	0.883	0.000
H6	-0.260	1.551	0.000
H7	-0.790	-1.536	0.000
H8	-1.793	-0.348	0.889
H9	-1.793	-0.348	-0.889

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5125	2.5389	2.7992	3.5350	2.2322	1.1034	1.1052	1.1052
C2	1.5125		1.3542	2.1401	2.1396	1.0986	2.1689	2.1676	2.1676
C3	2.5389	1.3542		1.0968	1.0946	2.1155	2.6787	3.2609	3.2609
H4	2.7992	2.1401	1.0968		1.8713	3.1031	2.4795	3.5669	3.5669
H5	3.5350	2.1396	1.0946	1.8713		2.4549	3.7704	4.1810	4.1810
H6	2.2322	1.0986	2.1155	3.1031	2.4549		3.1325	2.5977	2.5977
H7	1.1034	2.1689	2.6787	2.4795	3.7704	3.1325		1.7916	1.7916
H8	1.1052	2.1676	3.2609	3.5669	4.1810	2.5977	1.7916		1.7784
H9	1.1052	2.1676	3.2609	3.5669	4.1810	2.5977	1.7916	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.569	C1	C2	H6	116.603
C2	C1	H7	111.055	C2	C1	H8	110.839
C2	C1	H9	110.839	C2	C3	H4	121.297
C2	C3	H5	121.429	C3	C2	H6	118.828
H4	C3	H5	117.274	H7	C1	H8	108.422
H7	C1	H9	108.422	H8	C1	H9	107.130

All results from a given calculation for CH₂CHCH₃ (Propene)

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

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)