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	hartrees
Energy at 0K	-117.747805
Energy at 298.15K
HF Energy	-117.117408
Nuclear repulsion energy	70.891435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3216	3099
2	A'	3156	3042
3	A'	3137	3023
4	A'	3104	2991
5	A'	3034	2924
6	A'	1708	1646
7	A'	1515	1460
8	A'	1461	1408
9	A'	1419	1368
10	A'	1320	1272
11	A'	1197	1153
12	A'	945	911
13	A'	936	902
14	A'	420	405
15	A"	3086	2974
16	A"	1503	1448
17	A"	1083	1044
18	A"	1022	985
19	A"	934	900
20	A"	587	566
21	A"	214	207

Atom	x (Å)	y (Å)	z (Å)
C1	-1.137	-0.494	0.000
C2	0.000	0.478	0.000
C3	1.289	0.136	0.000
H4	1.591	-0.903	0.000
H5	2.070	0.882	0.000
H6	-0.259	1.530	0.000
H7	-0.772	-1.521	0.000
H8	-1.770	-0.354	0.879
H9	-1.770	-0.354	-0.879

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4955	2.5062	2.7583	3.4895	2.2057	1.0905	1.0919	1.0919
C2	1.4955		1.3333	2.1064	2.1089	1.0835	2.1425	2.1440	2.1440
C3	2.5062	1.3333		1.0821	1.0802	2.0828	2.6440	3.2200	3.2200
H4	2.7583	2.1064	1.0821		1.8486	3.0562	2.4417	3.5168	3.5168
H5	3.4895	2.1089	1.0802	1.8486		2.4171	3.7214	4.1285	4.1285
H6	2.2057	1.0835	2.0828	3.0562	2.4171		3.0935	2.5697	2.5697
H7	1.0905	2.1425	2.6440	2.4417	3.7214	3.0935		1.7694	1.7694
H8	1.0919	2.1440	3.2200	3.5168	4.1285	2.5697	1.7694		1.7572
H9	1.0919	2.1440	3.2200	3.5168	4.1285	2.5697	1.7694	1.7572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.646	C1	C2	H6	116.672
C2	C1	H7	110.924	C2	C1	H8	110.960
C2	C1	H9	110.960	C2	C3	H4	121.049
C2	C3	H5	121.454	C3	C2	H6	118.682
H4	C3	H5	117.497	H7	C1	H8	108.350
H7	C1	H9	108.350	H8	C1	H9	107.162

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

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: CCSD(T)=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)