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	hartrees
Energy at 0K	-577.465983
Energy at 298.15K	-577.470842
Nuclear repulsion energy	145.669595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3109	7.91
2	A'	3154	3038	10.26
3	A'	3138	3022	2.66
4	A'	3034	2922	18.38
5	A'	1712	1648	21.91
6	A'	1476	1421	6.35
7	A'	1409	1357	5.27
8	A'	1346	1297	35.36
9	A'	1254	1208	0.81
10	A'	1094	1054	1.89
11	A'	945	910	24.37
12	A'	758	730	55.84
13	A'	565	544	1.41
14	A'	222	214	0.84
15	A"	3087	2973	15.24
16	A"	1479	1424	10.42
17	A"	1056	1017	0.62
18	A"	953	917	1.16
19	A"	711	685	60.83
20	A"	407	392	2.07
21	A"	112	108	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.914	0.000
C2	-1.236	0.430	0.000
C3	-1.661	-0.998	0.000
Cl4	1.444	-0.066	0.000
H5	0.228	1.971	0.000
H6	-2.023	1.182	0.000
H7	-0.808	-1.678	0.000
H8	-2.277	-1.216	0.879
H9	-2.277	-1.216	-0.879

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3272	2.5329	1.7444	1.0815	2.0410	2.7146	3.2393	3.2393
C2	1.3272		1.4906	2.7251	2.1253	1.0885	2.1510	2.1370	2.1370
C3	2.5329	1.4906		3.2418	3.5193	2.2103	1.0903	1.0954	1.0954
Cl4	1.7444	2.7251	3.2418		2.3717	3.6845	2.7696	3.9924	3.9924
H5	1.0815	2.1253	3.5193	2.3717		2.3854	3.7931	4.1477	4.1477
H6	2.0410	1.0885	2.2103	3.6845	2.3854		3.1072	2.5667	2.5667
H7	2.7146	2.1510	1.0903	2.7696	3.7931	3.1072		1.7729	1.7729
H8	3.2393	2.1370	1.0954	3.9924	4.1477	2.5667	1.7729		1.7587
H9	3.2393	2.1370	1.0954	3.9924	4.1477	2.5667	1.7729	1.7587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.929	C1	C2	H6	114.962
C2	C1	Cl4	124.490	C2	C1	H5	123.527
C2	C3	H7	111.976	C2	C3	H8	110.528
C2	C3	H9	110.528	C3	C2	H6	117.109
Cl4	C1	H5	111.982	H7	C3	H8	108.420
H7	C3	H9	108.420	H8	C3	H9	106.797

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

using model chemistry: B3PW91/6-311G**

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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Number	Element	Mulliken
1	C	-0.220
2	C	-0.125
3	C	-0.315
4	Cl	-0.076
5	H	0.180
6	H	0.132
7	H	0.149
8	H	0.137
9	H	0.137

	x	y	z	Total
	-1.822	0.400	0.000	1.865
CHELPG
AIM
ESP

	x	y	z
x	9.373	0.257	0.000
y	0.257	6.294	0.000
z	0.000	0.000	3.877

<r²>	120.553
(<r²>)^1/2	10.980

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

using model chemistry: B3PW91/6-311G**

States and conformations

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