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	hartrees
Energy at 0K	-117.565552
Energy at 298.15K	-117.571126
HF Energy	-117.084570
Nuclear repulsion energy	70.445895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3284	3084
2	A'	3197	3002
3	A'	3187	2993
4	A'	3164	2971
5	A'	3072	2885
6	A'	1711	1606
7	A'	1534	1441
8	A'	1484	1393
9	A'	1445	1356
10	A'	1337	1256
11	A'	1210	1136
12	A'	960	902
13	A'	939	882
14	A'	423	397
15	A"	3141	2949
16	A"	1513	1421
17	A"	1079	1013
18	A"	1004	943
19	A"	892	837
20	A"	572	537
21	A"	189	177

Atom	x (Å)	y (Å)	z (Å)
C1	-1.147	-0.493	0.000
C2	0.000	0.482	0.000
C3	1.300	0.131	0.000
H4	1.605	-0.911	0.000
H5	2.087	0.875	0.000
H6	-0.260	1.539	0.000
H7	-0.785	-1.523	0.000
H8	-1.781	-0.350	0.881
H9	-1.781	-0.350	-0.881

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5057	2.5256	2.7840	3.5123	2.2169	1.0922	1.0940	1.0940
C2	1.5057		1.3463	2.1248	2.1241	1.0881	2.1532	2.1539	2.1539
C3	2.5256	1.3463		1.0854	1.0835	2.1008	2.6613	3.2399	3.2399
H4	2.7840	2.1248	1.0854		1.8498	3.0782	2.4671	3.5429	3.5429
H5	3.5123	2.1241	1.0835	1.8498		2.4391	3.7419	4.1521	4.1521
H6	2.2169	1.0881	2.1008	3.0782	2.4391		3.1064	2.5801	2.5801
H7	1.0922	2.1532	2.6613	2.4671	3.7419	3.1064		1.7728	1.7728
H8	1.0940	2.1539	3.2399	3.5429	4.1521	2.5801	1.7728		1.7614
H9	1.0940	2.1539	3.2399	3.5429	4.1521	2.5801	1.7728	1.7614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.546	C1	C2	H6	116.534
C2	C1	H7	110.957	C2	C1	H8	110.903
C2	C1	H9	110.903	C2	C3	H4	121.436
C2	C3	H5	121.519	C3	C2	H6	118.921
H4	C3	H5	117.045	H7	C1	H8	108.362
H7	C1	H9	108.362	H8	C1	H9	107.223

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD(T)/6-31+G**

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: QCISD(T)/6-31+G**

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)