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	hartrees
Energy at 0K	-574.662988
Energy at 298.15K	-574.667844
Nuclear repulsion energy	143.290475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3162	3.48
2	A'	3162	3051	6.45
3	A'	3144	3033	1.48
4	A'	3049	2942	13.26
5	A'	1717	1657	16.86
6	A'	1548	1494	5.40
7	A'	1464	1413	8.84
8	A'	1369	1321	44.46
9	A'	1271	1226	0.95
10	A'	1113	1074	1.31
11	A'	934	902	18.43
12	A'	701	676	49.42
13	A'	528	509	9.29
14	A'	232	224	1.57
15	A"	3092	2983	13.78
16	A"	1558	1503	12.00
17	A"	1109	1070	0.03
18	A"	967	934	1.46
19	A"	720	694	70.18
20	A"	397	383	2.54
21	A"	127	123	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.966	0.000
C2	-1.244	0.517	0.000
C3	-1.695	-0.918	0.000
Cl4	1.459	-0.166	0.000
H5	0.314	1.998	0.000
H6	-2.026	1.275	0.000
H7	-0.837	-1.594	0.000
H8	-2.310	-1.124	0.885
H9	-2.310	-1.124	-0.885

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3227	2.5344	1.8465	1.0784	2.0495	2.6936	3.2386	3.2386
C2	1.3227		1.5044	2.7878	2.1495	1.0893	2.1497	2.1476	2.1476
C3	2.5344	1.5044		3.2421	3.5410	2.2185	1.0915	1.0971	1.0971
Cl4	1.8465	2.7878	3.2421		2.4480	3.7711	2.7041	3.9882	3.9882
H5	1.0784	2.1495	3.5410	2.4480		2.4490	3.7718	4.1731	4.1731
H6	2.0495	1.0893	2.2185	3.7711	2.4490		3.1057	2.5731	2.5731
H7	2.6936	2.1497	1.0915	2.7041	3.7718	3.1057		1.7810	1.7810
H8	3.2386	2.1476	1.0971	3.9882	4.1731	2.5731	1.7810		1.7694
H9	3.2386	2.1476	1.0971	3.9882	4.1731	2.5731	1.7810	1.7694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.280	C1	C2	H6	116.029
C2	C1	Cl4	122.339	C2	C1	H5	126.770
C2	C3	H7	110.812	C2	C3	H8	110.303
C2	C3	H9	110.303	C3	C2	H6	116.691
Cl4	C1	H5	110.891	H7	C3	H8	108.929
H7	C3	H9	108.929	H8	C3	H9	107.485

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.383
2	C	-0.139
3	C	-0.611
4	Cl	0.011
5	H	0.247
6	H	0.214
7	H	0.233
8	H	0.213
9	H	0.213

	x	y	z	Total
	-2.222	0.787	0.000	2.358
CHELPG
AIM
ESP

	x	y	z
x	8.418	-0.114	0.000
y	-0.114	5.461	0.000
z	0.000	0.000	2.780

<r²>	122.688
(<r²>)^1/2	11.076

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

using model chemistry: B3LYP/3-21G

States and conformations

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