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	hartrees
Energy at 0K	-576.850443
Energy at 298.15K	-576.855371
HF Energy	-576.054585
Nuclear repulsion energy	146.974804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3103	6.42
2	A'	3195	3039	4.60
3	A'	3177	3023	2.39
4	A'	3079	2930	15.26
5	A'	1707	1624	21.62
6	A'	1510	1436	4.03
7	A'	1429	1360	4.94
8	A'	1363	1297	31.82
9	A'	1261	1199	0.71
10	A'	1112	1058	0.70
11	A'	962	915	20.10
12	A'	788	750	37.79
13	A'	574	546	0.51
14	A'	230	219	1.01
15	A"	3142	2989	8.18
16	A"	1516	1442	6.23
17	A"	1080	1027	1.94
18	A"	967	920	0.28
19	A"	727	692	45.75
20	A"	414	394	1.89
21	A"	114	108	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.894	0.000
C2	-1.241	0.406	0.000
C3	-1.704	-1.010	0.000
Cl4	1.473	-0.043	0.000
H5	0.177	1.959	0.000
H6	-2.018	1.159	0.000
H7	-0.877	-1.706	0.000
H8	-2.322	-1.210	0.876
H9	-2.322	-1.210	-0.876

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3340	2.5558	1.7457	1.0789	2.0348	2.7440	3.2543	3.2543
C2	1.3340		1.4899	2.7508	2.1031	1.0813	2.1427	2.1327	2.1327
C3	2.5558	1.4899		3.3207	3.5148	2.1915	1.0806	1.0908	1.0908
Cl4	1.7457	2.7508	3.3207		2.3845	3.6912	2.8783	4.0658	4.0658
H5	1.0789	2.1031	3.5148	2.3845		2.3358	3.8129	4.1300	4.1300
H6	2.0348	1.0813	2.1915	3.6912	2.3358		3.0831	2.5442	2.5442
H7	2.7440	2.1427	1.0806	2.8783	3.8129	3.0831		1.7612	1.7612
H8	3.2543	2.1327	1.0908	4.0658	4.1300	2.5442	1.7612		1.7525
H9	3.2543	2.1327	1.0908	4.0658	4.1300	2.5442	1.7612	1.7525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	129.578	C1	C2	H6	114.391
C2	C1	Cl4	126.035	C2	C1	H5	120.923
C2	C3	H7	111.958	C2	C3	H8	110.507
C2	C3	H9	110.507	C3	C2	H6	116.031
Cl4	C1	H5	113.042	H7	C3	H8	108.404
H7	C3	H9	108.404	H8	C3	H9	106.892

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

using model chemistry: MP2=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 C3H5Cl (1-chloro-1-propene(Z))

using model chemistry: MP2=FULL/aug-cc-pVTZ

States and conformations

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