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	hartrees
Energy at 0K	-117.683714
Energy at 298.15K
HF Energy	-117.119977
Nuclear repulsion energy	71.043497

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'	3279	3279	10.84	54.13	0.61	0.76
2	A'	3194	3194	10.23	125.68	0.13	0.23
3	A'	3180	3180	13.20	50.52	0.18	0.31
4	A'	3166	3166	5.61	76.96	0.73	0.85
5	A'	3071	3071	17.60	172.91	0.02	0.03
6	A'	1710	1710	9.82	10.19	0.03	0.05
7	A'	1511	1511	14.75	5.38	0.64	0.78
8	A'	1467	1467	0.94	14.70	0.54	0.70
9	A'	1415	1415	2.27	1.94	0.75	0.86
10	A'	1335	1335	0.08	14.02	0.31	0.48
11	A'	1202	1202	0.16	1.20	0.65	0.79
12	A'	951	951	4.22	0.48	0.37	0.54
13	A'	946	946	1.58	5.79	0.09	0.16
14	A'	425	425	0.87	1.40	0.41	0.58
15	A"	3145	3145	11.98	72.28	0.75	0.86
16	A"	1498	1498	6.93	6.21	0.75	0.86
17	A"	1079	1079	3.15	0.43	0.75	0.86
18	A"	1037	1037	15.03	0.46	0.75	0.86
19	A"	942	942	40.97	1.19	0.75	0.86
20	A"	597	597	12.13	3.30	0.75	0.86
21	A"	208	208	0.44	0.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.135	-0.491	0.000
C2	0.000	0.479	0.000
C3	1.286	0.132	0.000
H4	1.583	-0.906	0.000
H5	2.067	0.875	0.000
H6	-0.255	1.530	0.000
H7	-0.771	-1.515	0.000
H8	-1.766	-0.351	0.875
H9	-1.766	-0.351	-0.875

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4927	2.4998	2.7490	3.4812	2.2041	1.0862	1.0880	1.0880
C2	1.4927		1.3318	2.1027	2.1049	1.0819	2.1371	2.1381	2.1381
C3	2.4998	1.3318		1.0795	1.0778	2.0807	2.6350	3.2114	3.2114
H4	2.7490	2.1027	1.0795		1.8452	3.0513	2.4311	3.5054	3.5054
H5	3.4812	2.1049	1.0778	1.8452		2.4133	3.7100	4.1183	4.1183
H6	2.2041	1.0819	2.0807	3.0513	2.4133		3.0878	2.5657	2.5657
H7	1.0862	2.1371	2.6350	2.4311	3.7100	3.0878		1.7639	1.7639
H8	1.0880	2.1381	3.2114	3.5054	4.1183	2.5657	1.7639		1.7498
H9	1.0880	2.1381	3.2114	3.5054	4.1183	2.5657	1.7639	1.7498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.413	C1	C2	H6	116.862
C2	C1	H7	110.941	C2	C1	H8	110.913
C2	C1	H9	110.913	C2	C3	H4	121.024
C2	C3	H5	121.387	C3	C2	H6	118.725
H4	C3	H5	117.589	H7	C1	H8	108.441
H7	C1	H9	108.441	H8	C1	H9	107.058

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)