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	hartrees
Energy at 0K	-576.527567
Energy at 298.15K	-576.532464
HF Energy	-575.980885
Nuclear repulsion energy	145.893275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	3104	9.20
2	A'	3257	3050	9.66
3	A'	3245	3039	2.40
4	A'	3130	2931	16.27
5	A'	1728	1619	18.95
6	A'	1545	1447	2.53
7	A'	1468	1375	2.42
8	A'	1399	1310	33.45
9	A'	1293	1211	1.90
10	A'	1130	1058	1.05
11	A'	972	910	18.25
12	A'	796	745	37.29
13	A'	576	540	0.62
14	A'	233	218	1.00
15	A"	3207	3003	14.98
16	A"	1545	1447	6.22
17	A"	1093	1023	1.03
18	A"	955	894	0.84
19	A"	727	681	42.98
20	A"	400	375	2.20
21	A"	107	101	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.914	0.000
C2	-1.244	0.424	0.000
C3	-1.647	-1.014	0.000
Cl4	1.438	-0.055	0.000
H5	0.209	1.973	0.000
H6	-2.035	1.166	0.000
H7	-0.780	-1.668	0.000
H8	-2.252	-1.242	0.878
H9	-2.252	-1.242	-0.878

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3366	2.5359	1.7343	1.0789	2.0501	2.6977	3.2387	3.2387
C2	1.3366		1.4939	2.7244	2.1229	1.0842	2.1435	2.1361	2.1361
C3	2.5359	1.4939		3.2309	3.5163	2.2141	1.0864	1.0904	1.0904
Cl4	1.7343	2.7244	3.2309		2.3714	3.6812	2.7428	3.9745	3.9745
H5	1.0789	2.1229	3.5163	2.3714		2.3840	3.7729	4.1421	4.1421
H6	2.0501	1.0842	2.2141	3.6812	2.3840		3.0996	2.5718	2.5718
H7	2.6977	2.1435	1.0864	2.7428	3.7729	3.0996		1.7665	1.7665
H8	3.2387	2.1361	1.0904	3.9745	4.1421	2.5718	1.7665		1.7565
H9	3.2387	2.1361	1.0904	3.9745	4.1421	2.5718	1.7665	1.7565

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.168	C1	C2	H6	115.347
C2	C1	Cl4	124.527	C2	C1	H5	122.653
C2	C3	H7	111.368	C2	C3	H8	110.528
C2	C3	H9	110.528	C3	C2	H6	117.485
Cl4	C1	H5	112.819	H7	C3	H8	108.492
H7	C3	H9	108.492	H8	C3	H9	107.308

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

using model chemistry: MP2/6-31G**

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(Z))

using model chemistry: MP2/6-31G**

States and conformations

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