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	hartrees
Energy at 0K	-117.599956
Energy at 298.15K
HF Energy	-117.102597
Nuclear repulsion energy	70.675998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3282	3114	15.75	60.85	0.65	0.78
2	A'	3194	3030	14.26	117.59	0.14	0.24
3	A'	3182	3018	19.25	53.28	0.26	0.41
4	A'	3170	3007	4.77	85.56	0.74	0.85
5	A'	3074	2916	20.60	150.92	0.02	0.03
6	A'	1709	1621	7.35	5.00	0.04	0.07
7	A'	1514	1436	12.93	10.59	0.67	0.80
8	A'	1463	1388	1.52	13.89	0.63	0.77
9	A'	1420	1347	1.78	3.50	0.74	0.85
10	A'	1325	1256	0.23	12.22	0.40	0.58
11	A'	1200	1138	0.20	1.66	0.70	0.82
12	A'	951	902	5.02	2.34	0.26	0.42
13	A'	944	895	0.01	2.75	0.13	0.23
14	A'	425	403	0.78	1.24	0.41	0.58
15	A"	3150	2988	18.81	83.50	0.75	0.86
16	A"	1498	1421	7.29	10.32	0.75	0.86
17	A"	1076	1021	2.28	0.35	0.75	0.86
18	A"	1027	974	17.32	0.38	0.75	0.86
19	A"	909	862	39.46	0.45	0.75	0.86
20	A"	583	553	11.34	7.43	0.75	0.86
21	A"	200	190	0.42	1.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.140	-0.493	0.000
C2	0.000	0.481	0.000
C3	1.292	0.133	0.000
H4	1.593	-0.911	0.000
H5	2.078	0.880	0.000
H6	-0.260	1.538	0.000
H7	-0.775	-1.523	0.000
H8	-1.774	-0.352	0.881
H9	-1.774	-0.352	-0.881

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4995	2.5112	2.7648	3.4989	2.2141	1.0929	1.0947	1.0947
C2	1.4995		1.3380	2.1153	2.1162	1.0889	2.1487	2.1491	2.1491
C3	2.5112	1.3380		1.0863	1.0844	2.0936	2.6484	3.2269	3.2269
H4	2.7648	2.1153	1.0863		1.8550	3.0711	2.4458	3.5252	3.5252
H5	3.4989	2.1162	1.0844	1.8550		2.4291	3.7301	4.1395	4.1395
H6	2.2141	1.0889	2.0936	3.0711	2.4291		3.1047	2.5777	2.5777
H7	1.0929	2.1487	2.6484	2.4458	3.7301	3.1047		1.7738	1.7738
H8	1.0947	2.1491	3.2269	3.5252	4.1395	2.5777	1.7738		1.7621
H9	1.0947	2.1491	3.2269	3.5252	4.1395	2.5777	1.7738	1.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.411	C1	C2	H6	116.711
C2	C1	H7	110.989	C2	C1	H8	110.907
C2	C1	H9	110.907	C2	C3	H4	121.171
C2	C3	H5	121.403	C3	C2	H6	118.878
H4	C3	H5	117.425	H7	C1	H8	108.358
H7	C1	H9	108.358	H8	C1	H9	107.188

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)