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	hartrees
Energy at 0K	-117.794095
Energy at 298.15K
HF Energy	-117.642766
Nuclear repulsion energy	70.731013

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'	3244	3244	24.83	67.72	0.63	0.78
2	A'	3162	3162	13.12	145.62	0.17	0.29
3	A'	3153	3153	31.05	31.08	0.28	0.44
4	A'	3130	3130	11.27	92.68	0.72	0.84
5	A'	3049	3049	27.08	154.85	0.03	0.05
6	A'	1719	1719	10.68	10.42	0.07	0.13
7	A'	1529	1529	15.34	11.67	0.66	0.79
8	A'	1474	1474	1.42	18.40	0.59	0.74
9	A'	1438	1438	2.40	4.17	0.75	0.86
10	A'	1341	1341	0.11	16.98	0.39	0.57
11	A'	1209	1209	0.32	2.12	0.75	0.86
12	A'	962	962	3.65	0.20	0.69	0.82
13	A'	937	937	2.18	5.14	0.17	0.29
14	A'	429	429	0.86	1.48	0.43	0.60
15	A"	3102	3102	27.14	94.79	0.75	0.86
16	A"	1515	1515	8.82	11.43	0.75	0.86
17	A"	1085	1085	1.43	0.52	0.75	0.86
18	A"	1030	1030	16.53	0.61	0.75	0.86
19	A"	924	924	48.28	0.91	0.75	0.86
20	A"	589	589	13.61	8.39	0.75	0.86
21	A"	201	201	0.38	1.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.138	-0.501	0.000
C2	0.000	0.476	0.000
C3	1.291	0.145	0.000
H4	1.613	-0.891	0.000
H5	2.070	0.899	0.000
H6	-0.271	1.530	0.000
H7	-0.779	-1.532	0.000
H8	-1.776	-0.363	0.878
H9	-1.776	-0.363	-0.878

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4997	2.5136	2.7781	3.5000	2.2082	1.0913	1.0938	1.0938
C2	1.4997		1.3327	2.1141	2.1127	1.0882	2.1534	2.1512	2.1512
C3	2.5136	1.3327		1.0854	1.0835	2.0870	2.6643	3.2304	3.2304
H4	2.7781	2.1141	1.0854		1.8473	3.0673	2.4760	3.5401	3.5401
H5	3.5000	2.1127	1.0835	1.8473		2.4243	3.7448	4.1416	4.1416
H6	2.2082	1.0882	2.0870	3.0673	2.4243		3.1034	2.5726	2.5726
H7	1.0913	2.1534	2.6643	2.4760	3.7448	3.1034		1.7691	1.7691
H8	1.0938	2.1512	3.2304	3.5401	4.1416	2.5726	1.7691		1.7553
H9	1.0938	2.1512	3.2304	3.5401	4.1416	2.5726	1.7691	1.7553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.003	C1	C2	H6	116.238
C2	C1	H7	111.449	C2	C1	H8	111.122
C2	C1	H9	111.122	C2	C3	H4	121.587
C2	C3	H5	121.612	C3	C2	H6	118.759
H4	C3	H5	116.800	H7	C1	H8	108.119
H7	C1	H9	108.119	H8	C1	H9	106.719

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)