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	hartrees
Energy at 0K	-117.607074
Energy at 298.15K
HF Energy	-117.112321
Nuclear repulsion energy	70.600563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3250	3129
2	A'	3163	3046
3	A'	3154	3037
4	A'	3127	3011
5	A'	3041	2928
6	A'	1692	1629
7	A'	1514	1458
8	A'	1467	1413
9	A'	1428	1375
10	A'	1328	1279
11	A'	1197	1153
12	A'	952	916
13	A'	929	894
14	A'	423	408
15	A"	3107	2992
16	A"	1483	1428
17	A"	1071	1031
18	A"	993	956
19	A"	821	791
20	A"	554	533
21	A"	195	188

Atom	x (Å)	y (Å)	z (Å)
C1	-1.142	-0.497	0.000
C2	0.000	0.482	0.000
C3	1.293	0.136	0.000
H4	1.599	-0.906	0.000
H5	2.079	0.883	0.000
H6	-0.264	1.538	0.000
H7	-0.774	-1.526	0.000
H8	-1.775	-0.357	0.882
H9	-1.775	-0.357	-0.882

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5034	2.5156	2.7709	3.5035	2.2157	1.0933	1.0948	1.0948
C2	1.5034		1.3387	2.1174	2.1174	1.0887	2.1522	2.1525	2.1525
C3	2.5156	1.3387		1.0861	1.0839	2.0954	2.6530	3.2305	3.2305
H4	2.7709	2.1174	1.0861		1.8522	3.0733	2.4529	3.5302	3.5302
H5	3.5035	2.1174	1.0839	1.8522		2.4330	3.7343	4.1437	4.1437
H6	2.2157	1.0887	2.0954	3.0733	2.4330		3.1065	2.5796	2.5796
H7	1.0933	2.1522	2.6530	2.4529	3.7343	3.1065		1.7735	1.7735
H8	1.0948	2.1525	3.2305	3.5302	4.1437	2.5796	1.7735		1.7640
H9	1.0948	2.1525	3.2305	3.5302	4.1437	2.5796	1.7735	1.7640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.432	C1	C2	H6	116.563
C2	C1	H7	110.972	C2	C1	H8	110.901
C2	C1	H9	110.901	C2	C3	H4	121.311
C2	C3	H5	121.494	C3	C2	H6	119.005
H4	C3	H5	117.195	H7	C1	H8	108.296
H7	C1	H9	108.296	H8	C1	H9	107.345

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP4/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)