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	hartrees
Energy at 0K	-576.214231
Energy at 298.15K	-576.218878
HF Energy	-575.902151
Nuclear repulsion energy	136.995937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3123	12.70
2	A'	3183	3072	12.44
3	A'	3125	3017	25.91
4	A'	3019	2914	32.22
5	A'	1647	1590	21.04
6	A'	1537	1483	11.87
7	A'	1466	1416	4.29
8	A'	1333	1287	3.80
9	A'	1286	1242	18.25
10	A'	1121	1082	2.56
11	A'	968	935	18.29
12	A'	748	722	28.16
13	A'	397	383	4.75
14	A'	245	236	0.50
15	A"	3113	3005	27.95
16	A"	1520	1467	10.29
17	A"	1094	1056	0.16
18	A"	956	923	76.47
19	A"	697	673	1.84
20	A"	220	213	0.45
21	A"	191	185	1.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.480	0.000
C2	0.993	-0.450	0.000
C3	2.479	-0.076	0.000
Cl4	-1.782	0.011	0.000
H5	0.146	1.561	0.000
H6	0.735	-1.515	0.000
H7	2.614	1.020	0.000
H8	2.982	-0.488	0.893
H9	2.982	-0.488	-0.893

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3599	2.5404	1.8424	1.0912	2.1259	2.6697	3.2600	3.2600
C2	1.3599		1.5324	2.8127	2.1820	1.0961	2.1885	2.1811	2.1811
C3	2.5404	1.5324		4.2617	2.8503	2.2611	1.1042	1.1048	1.1048
Cl4	1.8424	2.8127	4.2617		2.4733	2.9436	4.5106	4.8728	4.8728
H5	1.0912	2.1820	2.8503	2.4733		3.1321	2.5274	3.6114	3.6114
H6	2.1259	1.0961	2.2611	2.9436	3.1321		3.1558	2.6274	2.6274
H7	2.6697	2.1885	1.1042	4.5106	2.5274	3.1558		1.7906	1.7906
H8	3.2600	2.1811	1.1048	4.8728	3.6114	2.6274	1.7906		1.7861
H9	3.2600	2.1811	1.1048	4.8728	3.6114	2.6274	1.7906	1.7861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.773	C1	C2	H6	119.505
C2	C1	Cl4	122.164	C2	C1	H5	125.438
C2	C3	H7	111.169	C2	C3	H8	110.545
C2	C3	H9	110.545	C3	C2	H6	117.722
Cl4	C1	H5	112.399	H7	C3	H8	108.304
H7	C3	H9	108.304	H8	C3	H9	107.866

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(E))

using model chemistry: MP2/SDD

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 C3H5Cl (1-chloro-1-propene(E))

using model chemistry: MP2/SDD

States and conformations

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(E))