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	hartrees
Energy at 0K	-117.587106
Energy at 298.15K
HF Energy	-117.084747
Nuclear repulsion energy	69.943388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3231	3134
2	A'	3149	3054
3	A'	3133	3039
4	A'	3105	3012
5	A'	3015	2924
6	A'	1682	1632
7	A'	1477	1433
8	A'	1439	1396
9	A'	1386	1344
10	A'	1306	1267
11	A'	1179	1144
12	A'	929	901
13	A'	926	898
14	A'	414	402
15	A"	3082	2990
16	A"	1461	1417
17	A"	1048	1017
18	A"	988	959
19	A"	911	884
20	A"	571	554
21	A"	199	193

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	1.612	-0.924	0.000
H5	2.103	0.884	0.000
H6	-0.260	1.553	0.000
H7	-0.789	-1.536	0.000
H8	-1.794	-0.348	0.890
H9	-1.794	-0.348	-0.890

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5127	2.5391	2.7990	3.5358	2.2336	1.1041	1.1058	1.1058
C2	1.5127		1.3543	2.1403	2.1402	1.0997	2.1689	2.1684	2.1684
C3	2.5391	1.3543		1.0974	1.0953	2.1161	2.6781	3.2615	3.2615
H4	2.7990	2.1403	1.0974		1.8729	3.1042	2.4779	3.5668	3.5668
H5	3.5358	2.1402	1.0953	1.8729		2.4551	3.7706	4.1821	4.1821
H6	2.2336	1.0997	2.1161	3.1042	2.4551		3.1339	2.5996	2.5996
H7	1.1041	2.1689	2.6781	2.4779	3.7706	3.1339		1.7925	1.7925
H8	1.1058	2.1684	3.2615	3.5668	4.1821	2.5996	1.7925		1.7798
H9	1.1058	2.1684	3.2615	3.5668	4.1821	2.5996	1.7925	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.571	C1	C2	H6	116.635
C2	C1	H7	111.000	C2	C1	H8	110.855
C2	C1	H9	110.855	C2	C3	H4	121.256
C2	C3	H5	121.416	C3	C2	H6	118.794
H4	C3	H5	117.327	H7	C1	H8	108.412
H7	C1	H9	108.412	H8	C1	H9	107.178

All results from a given calculation for CH₂CHCH₃ (Propene)

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

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)