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	hartrees
Energy at 0K	-34.783895
Energy at 298.15K	-34.788726
Nuclear repulsion energy	59.462161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3100	16.89
2	A'	3197	3060	14.54
3	A'	3174	3038	2.30
4	A'	3074	2943	23.58
5	A'	1731	1657	23.42
6	A'	1487	1423	5.32
7	A'	1418	1358	6.27
8	A'	1323	1266	33.45
9	A'	1229	1177	1.07
10	A'	1098	1051	0.78
11	A'	945	905	24.09
12	A'	768	736	48.58
13	A'	560	536	0.44
14	A'	252	241	0.67
15	A"	3135	3001	25.54
16	A"	1478	1415	12.57
17	A"	1040	995	1.19
18	A"	935	895	0.39
19	A"	703	673	75.94
20	A"	386	370	2.37
21	A"	109	105	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.931	0.000
C2	-1.264	0.427	0.000
C3	-1.654	-1.032	0.000
Cl4	1.452	-0.053	0.000
H5	0.218	2.001	0.000
H6	-2.067	1.173	0.000
H7	-0.776	-1.691	0.000
H8	-2.269	-1.265	0.887
H9	-2.269	-1.265	-0.887

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3608	2.5669	1.7537	1.0921	2.0812	2.7347	3.2797	3.2797
C2	1.3608		1.5105	2.7580	2.1615	1.0959	2.1742	2.1589	2.1589
C3	2.5669	1.5105		3.2565	3.5641	2.2435	1.0981	1.1039	1.1039
Cl4	1.7537	2.7580	3.2565		2.3964	3.7263	2.7653	4.0119	4.0119
H5	1.0921	2.1615	3.5641	2.3964		2.4299	3.8238	4.1996	4.1996
H6	2.0812	1.0959	2.2435	3.7263	2.4299		3.1420	2.6028	2.6028
H7	2.7347	2.1742	1.0981	2.7653	3.8238	3.1420		1.7875	1.7875
H8	3.2797	2.1589	1.1039	4.0119	4.1996	2.6028	1.7875		1.7740
H9	3.2797	2.1589	1.1039	4.0119	4.1996	2.6028	1.7875	1.7740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.681	C1	C2	H6	115.389
C2	C1	Cl4	124.152	C2	C1	H5	123.204
C2	C3	H7	111.939	C2	C3	H8	110.365
C2	C3	H9	110.365	C3	C2	H6	117.929
Cl4	C1	H5	112.644	H7	C3	H8	108.538
H7	C3	H9	108.538	H8	C3	H9	106.941

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

using model chemistry: B1B95/CEP-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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Number	Element	Mulliken
1	C	-0.284
2	C	-0.146
3	C	-0.467
4	Cl	-0.100
5	H	0.250
6	H	0.264
7	H	0.189
8	H	0.147
9	H	0.147

	x	y	z
x	8.841	0.261	0.000
y	0.261	5.877	0.000
z	0.000	0.000	3.547

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G*

States and conformations

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