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	hartrees
Energy at 0K	-573.464781
Energy at 298.15K	-573.469530
HF Energy	-573.137009
Nuclear repulsion energy	137.966930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3129	3.90
2	A'	3214	3069	2.65
3	A'	3157	3015	12.40
4	A'	3082	2943	14.25
5	A'	1694	1617	22.55
6	A'	1590	1519	11.03
7	A'	1496	1428	2.44
8	A'	1376	1314	0.72
9	A'	1302	1243	30.59
10	A'	1125	1074	5.98
11	A'	967	924	10.75
12	A'	745	711	33.98
13	A'	403	385	6.64
14	A'	254	243	0.64
15	A"	3149	3006	13.21
16	A"	1585	1513	8.01
17	A"	1136	1084	0.04
18	A"	996	951	68.80
19	A"	794	758	1.20
20	A"	229	219	0.26
21	A"	187	179	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.485	0.000
C2	0.996	-0.398	0.000
C3	2.461	0.010	0.000
Cl4	-1.771	-0.059	0.000
H5	0.097	1.561	0.000
H6	0.773	-1.462	0.000
H7	2.560	1.100	0.000
H8	2.968	-0.386	0.887
H9	2.968	-0.386	-0.887

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3309	2.5064	1.8525	1.0810	2.0946	2.6332	3.2176	3.2176
C2	1.3309		1.5211	2.7875	2.1558	1.0866	2.1666	2.1625	2.1625
C3	2.5064	1.5211		4.2326	2.8275	2.2394	1.0951	1.0956	1.0956
Cl4	1.8525	2.7875	4.2326		2.4729	2.9054	4.4837	4.8323	4.8323
H5	1.0810	2.1558	2.8275	2.4729		3.0979	2.5057	3.5803	3.5803
H6	2.0946	1.0866	2.2394	2.9054	3.0979		3.1240	2.6003	2.6003
H7	2.6332	2.1666	1.0951	4.4837	2.5057	3.1240		1.7782	1.7782
H8	3.2176	2.1625	1.0956	4.8323	3.5803	2.6003	1.7782		1.7743
H9	3.2176	2.1625	1.0956	4.8323	3.5803	2.6003	1.7782	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.865	C1	C2	H6	119.748
C2	C1	Cl4	121.369	C2	C1	H5	126.407
C2	C3	H7	110.763	C2	C3	H8	110.408
C2	C3	H9	110.408	C3	C2	H6	117.387
Cl4	C1	H5	112.224	H7	C3	H8	108.526
H7	C3	H9	108.526	H8	C3	H9	108.135

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

using model chemistry: MP2=FULL/3-21G

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=FULL/3-21G

States and conformations

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