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	hartrees
Energy at 0K	-117.563064
Energy at 298.15K
HF Energy	-117.080636
Nuclear repulsion energy	70.022032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3259	3146
2	A'	3169	3058
3	A'	3157	3047
4	A'	3144	3034
5	A'	3048	2941
6	A'	1701	1642
7	A'	1487	1436
8	A'	1447	1396
9	A'	1399	1350
10	A'	1309	1263
11	A'	1186	1145
12	A'	939	906
13	A'	934	901
14	A'	416	402
15	A"	3124	3015
16	A"	1474	1423
17	A"	1058	1021
18	A"	1010	975
19	A"	909	878
20	A"	577	557
21	A"	202	195

Atom	x (Å)	y (Å)	z (Å)
C1	-1.151	-0.494	0.000
C2	0.000	0.483	0.000
C3	1.305	0.131	0.000
H4	1.610	-0.924	0.000
H5	2.100	0.885	0.000
H6	-0.261	1.552	0.000
H7	-0.787	-1.537	0.000
H8	-1.793	-0.350	0.889
H9	-1.793	-0.350	-0.889

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5094	2.5337	2.7945	3.5316	2.2313	1.1045	1.1062	1.1062
C2	1.5094		1.3512	2.1382	2.1386	1.1009	2.1675	2.1675	2.1675
C3	2.5337	1.3512		1.0982	1.0963	2.1145	2.6752	3.2581	3.2581
H4	2.7945	2.1382	1.0982		1.8740	3.1037	2.4746	3.5640	3.5640
H5	3.5316	2.1386	1.0963	1.8740		2.4539	3.7686	4.1800	4.1800
H6	2.2313	1.1009	2.1145	3.1037	2.4539		3.1335	2.5990	2.5990
H7	1.1045	2.1675	2.6752	2.4746	3.7686	3.1335		1.7921	1.7921
H8	1.1062	2.1675	3.2581	3.5640	4.1800	2.5990	1.7921		1.7787
H9	1.1062	2.1675	3.2581	3.5640	4.1800	2.5990	1.7921	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.588	C1	C2	H6	116.606
C2	C1	H7	111.090	C2	C1	H8	110.980
C2	C1	H9	110.980	C2	C3	H4	121.258
C2	C3	H5	121.459	C3	C2	H6	118.805
H4	C3	H5	117.283	H7	C1	H8	108.315
H7	C1	H9	108.315	H8	C1	H9	107.013

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP4=FULL/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: MP4=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)