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	hartrees
Energy at 0K	-576.053581
Energy at 298.15K	-576.058816
Nuclear repulsion energy	143.917570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3365	3062	14.57
2	A	3312	3015	6.57
3	A	3296	2999	4.01
4	A	3280	2985	6.47
5	A	3237	2946	18.96
6	A	1846	1680	2.56
7	A	1614	1468	5.59
8	A	1568	1427	9.51
9	A	1431	1303	5.59
10	A	1401	1275	46.94
11	A	1328	1209	0.57
12	A	1204	1095	1.46
13	A	1130	1028	6.72
14	A	1086	988	59.48
15	A	1014	922	5.55
16	A	985	896	6.03
17	A	812	739	70.82
18	A	649	591	13.73
19	A	434	395	1.14
20	A	308	280	5.93
21	A	118	107	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	2.221	-0.166	-0.307
C2	1.129	-0.171	0.424
C3	-0.036	0.726	0.173
Cl4	-1.539	-0.227	-0.123
H5	2.330	0.479	-1.160
H6	3.048	-0.811	-0.079
H7	1.041	-0.834	1.265
H8	-0.254	1.346	1.027
H9	0.113	1.346	-0.695

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3142	2.4745	3.7651	1.0748	1.0732	2.0764	3.1926	2.6234
C2	1.3142		1.4920	2.7244	2.0911	2.0842	1.0751	2.1393	2.1413
C3	2.4745	1.4920		1.8039	2.7268	3.4553	2.1887	1.0779	1.0763
Cl4	3.7651	2.7244	1.8039		4.0671	4.6240	2.9925	2.3347	2.3512
H5	1.0748	2.0911	2.7268	4.0671		1.8304	3.0442	3.4941	2.4256
H6	1.0732	2.0842	3.4553	4.6240	1.8304		2.4150	4.0959	3.6944
H7	2.0764	1.0751	2.1887	2.9925	3.0442	2.4150		2.5472	3.0753
H8	3.1926	2.1393	1.0779	2.3347	3.4941	4.0959	2.5472		1.7604
H9	2.6234	2.1413	1.0763	2.3512	2.4256	3.6944	3.0753	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.590	C1	C2	H7	120.365
C2	C1	H5	121.835	C2	C1	H6	121.284
C2	C3	Cl4	111.151	C2	C3	H8	111.689
C2	C3	H9	111.946	C3	C2	H7	116.040
Cl4	C3	H8	105.434	Cl4	C3	H9	106.698
H5	C1	H6	116.882	H8	C3	H9	109.606

All results from a given calculation for C₃H₅Cl (1-Propene, 3-chloro-)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.320
2	C	-0.122
3	C	-0.055
4	Cl	-0.217
5	H	0.142
6	H	0.149
7	H	0.168
8	H	0.128
9	H	0.127

	x	y	z	Total
	1.933	1.051	0.364	2.230
CHELPG
AIM
ESP

	x	y	z
x	9.465	0.198	-0.822
y	0.198	5.503	-0.188
z	-0.822	-0.188	5.616

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H5Cl (1-Propene, 3-chloro-)

using model chemistry: HF/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₅Cl (1-Propene, 3-chloro-)