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	hartrees
Energy at 0K	-117.585104
Energy at 298.15K
HF Energy	-117.084827
Nuclear repulsion energy	69.973162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3240	3160
2	A'	3155	3077
3	A'	3140	3062
4	A'	3113	3036
5	A'	3021	2946
6	A'	1681	1639
7	A'	1479	1442
8	A'	1439	1403
9	A'	1385	1351
10	A'	1307	1275
11	A'	1180	1151
12	A'	929	906
13	A'	927	904
14	A'	414	404
15	A"	3092	3015
16	A"	1462	1425
17	A"	1049	1023
18	A"	995	970
19	A"	915	892
20	A"	574	559
21	A"	202	197

Atom	x (Å)	y (Å)	z (Å)
C1	-1.153	-0.493	0.000
C2	0.000	0.484	0.000
C3	1.307	0.130	0.000
H4	1.611	-0.924	0.000
H5	2.102	0.883	0.000
H6	-0.259	1.552	0.000
H7	-0.789	-1.535	0.000
H8	-1.793	-0.347	0.889
H9	-1.793	-0.347	-0.889

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5116	2.5380	2.7976	3.5342	2.2328	1.1038	1.1053	1.1053
C2	1.5116		1.3539	2.1393	2.1394	1.0995	2.1677	2.1673	2.1673
C3	2.5380	1.3539		1.0970	1.0949	2.1152	2.6769	3.2603	3.2603
H4	2.7976	2.1393	1.0970		1.8726	3.1028	2.4764	3.5653	3.5653
H5	3.5342	2.1394	1.0949	1.8726		2.4535	3.7689	4.1804	4.1804
H6	2.2328	1.0995	2.1152	3.1028	2.4535		3.1328	2.5990	2.5990
H7	1.1038	2.1677	2.6769	2.4764	3.7689	3.1328		1.7918	1.7918
H8	1.1053	2.1673	3.2603	3.5653	4.1804	2.5990	1.7918		1.7789
H9	1.1053	2.1673	3.2603	3.5653	4.1804	2.5990	1.7918	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.586	C1	C2	H6	116.666
C2	C1	H7	110.995	C2	C1	H8	110.872
C2	C1	H9	110.872	C2	C3	H4	121.228
C2	C3	H5	121.407	C3	C2	H6	118.748
H4	C3	H5	117.365	H7	C1	H8	108.406
H7	C1	H9	108.406	H8	C1	H9	107.158

All results from a given calculation for CH₂CHCH₃ (Propene)

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

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)