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	hartrees
Energy at 0K	-117.692558
Energy at 298.15K	-117.698196
HF Energy	-117.114863
Nuclear repulsion energy	71.028789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	3274	10.40
2	A'	3185	3185	11.41
3	A'	3172	3172	14.16
4	A'	3161	3161	3.27
5	A'	3065	3065	17.36
6	A'	1710	1710	11.16
7	A'	1510	1510	15.09
8	A'	1460	1460	1.29
9	A'	1413	1413	2.07
10	A'	1329	1329	0.09
11	A'	1201	1201	0.15
12	A'	950	950	5.87
13	A'	946	946	0.02
14	A'	425	425	0.88
15	A"	3141	3141	11.01
16	A"	1498	1498	6.92
17	A"	1074	1074	2.91
18	A"	1036	1036	13.42
19	A"	944	944	41.31
20	A"	594	594	11.99
21	A"	211	211	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	-1.134	-0.491	0.000
C2	0.000	0.477	0.000
C3	1.286	0.134	0.000
H4	1.588	-0.905	0.000
H5	2.068	0.878	0.000
H6	-0.258	1.530	0.000
H7	-0.774	-1.517	0.000
H8	-1.766	-0.349	0.876
H9	-1.766	-0.349	-0.876

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4912	2.4997	2.7532	3.4828	2.2027	1.0874	1.0892	1.0892
C2	1.4912		1.3310	2.1046	2.1066	1.0843	2.1391	2.1376	2.1376
C3	2.4997	1.3310		1.0815	1.0797	2.0818	2.6402	3.2121	3.2121
H4	2.7532	2.1046	1.0815		1.8465	3.0553	2.4401	3.5107	3.5107
H5	3.4828	2.1066	1.0797	1.8465		2.4159	3.7171	4.1203	4.1203
H6	2.2027	1.0843	2.0818	3.0553	2.4159		3.0905	2.5637	2.5637
H7	1.0874	2.1391	2.6402	2.4401	3.7171	3.0905		1.7649	1.7649
H8	1.0892	2.1376	3.2121	3.5107	4.1203	2.5637	1.7649		1.7511
H9	1.0892	2.1376	3.2121	3.5107	4.1203	2.5637	1.7649	1.7511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.592	C1	C2	H6	116.696
C2	C1	H7	111.142	C2	C1	H8	110.912
C2	C1	H9	110.912	C2	C3	H4	121.130
C2	C3	H5	121.480	C3	C2	H6	118.712
H4	C3	H5	117.389	H7	C1	H8	108.363
H7	C1	H9	108.363	H8	C1	H9	107.003

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2=FULL/6-311+G(3df,2pd)

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: MP2=FULL/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)