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	hartrees
Energy at 0K	-117.622020
Energy at 298.15K	-117.627631
HF Energy	-117.086878
Nuclear repulsion energy	70.565688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3271	3271
2	A'	3188	3188
3	A'	3176	3176
4	A'	3159	3159
5	A'	3066	3066
6	A'	1698	1698
7	A'	1518	1518
8	A'	1463	1463
9	A'	1421	1421
10	A'	1329	1329
11	A'	1198	1198
12	A'	946	946
13	A'	935	935
14	A'	418	418
15	A"	3134	3134
16	A"	1505	1505
17	A"	1073	1073
18	A"	1032	1032
19	A"	934	934
20	A"	587	587
21	A"	205	205

Atom	x (Å)	y (Å)	z (Å)
C1	-1.142	-0.498	0.000
C2	0.000	0.480	0.000
C3	1.295	0.139	0.000
H4	1.606	-0.901	0.000
H5	2.080	0.887	0.000
H6	-0.268	1.535	0.000
H7	-0.778	-1.529	0.000
H8	-1.779	-0.359	0.880
H9	-1.779	-0.359	-0.880

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5039	2.5184	2.7771	3.5070	2.2135	1.0932	1.0953	1.0953
C2	1.5039		1.3389	2.1186	2.1195	1.0887	2.1551	2.1547	2.1547
C3	2.5184	1.3389		1.0861	1.0843	2.0959	2.6608	3.2356	3.2356
H4	2.7771	2.1186	1.0861		1.8498	3.0743	2.4654	3.5393	3.5393
H5	3.5070	2.1195	1.0843	1.8498		2.4365	3.7425	4.1494	4.1494
H6	2.2135	1.0887	2.0959	3.0743	2.4365		3.1070	2.5775	2.5775
H7	1.0932	2.1551	2.6608	2.4654	3.7425	3.1070		1.7738	1.7738
H8	1.0953	2.1547	3.2356	3.5393	4.1494	2.5775	1.7738		1.7595
H9	1.0953	2.1547	3.2356	3.5393	4.1494	2.5775	1.7738	1.7595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.627	C1	C2	H6	116.338
C2	C1	H7	111.177	C2	C1	H8	111.017
C2	C1	H9	111.017	C2	C3	H4	121.423
C2	C3	H5	121.658	C3	C2	H6	119.035
H4	C3	H5	116.919	H7	C1	H8	108.297
H7	C1	H9	108.297	H8	C1	H9	106.877

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP4/6-31G(2df,p)

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: MP4/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)