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	hartrees
Energy at 0K	-577.420030
Energy at 298.15K	-577.424903
Nuclear repulsion energy	140.931332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3164	3139	15.29
2	A	3097	3074	10.75
3	A	3080	3056	8.31
4	A	3076	3052	2.21
5	A	3017	2994	16.05
6	A	1660	1647	0.64
7	A	1462	1451	3.66
8	A	1420	1409	4.72
9	A	1295	1285	0.88
10	A	1243	1233	40.87
11	A	1191	1182	2.77
12	A	1084	1076	1.13
13	A	996	988	11.24
14	A	925	917	7.74
15	A	918	911	30.86
16	A	882	875	3.93
17	A	696	690	54.97
18	A	560	555	22.08
19	A	391	388	1.59
20	A	272	270	8.53
21	A	110	109	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	2.247	-0.231	-0.306
C2	1.155	-0.091	0.465
C3	-0.015	0.765	0.092
Cl4	-1.571	-0.250	-0.099
H5	2.330	0.264	-1.278
H6	3.097	-0.839	0.010
H7	1.090	-0.604	1.431
H8	-0.267	1.498	0.871
H9	0.129	1.277	-0.867

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3440	2.5031	3.8229	1.0940	1.0923	2.1199	3.2700	2.6595
C2	1.3440		1.4970	2.7878	2.1324	2.1306	1.0951	2.1708	2.1681
C3	2.5031	1.4970		1.8675	2.7622	3.5022	2.2104	1.0987	1.0974
Cl4	3.8229	2.7878	1.8675		4.1075	4.7061	3.0888	2.3869	2.4115
H5	1.0940	2.1324	2.7622	4.1075		1.8610	3.1032	3.5900	2.4577
H6	1.0923	2.1306	3.5022	4.7061	1.8610		2.4707	4.1858	3.7492
H7	2.1199	1.0951	2.2104	3.0888	3.1032	2.4707		2.5639	3.1213
H8	3.2700	2.1708	1.0987	2.3869	3.5900	4.1858	2.5639		1.7963
H9	2.6595	2.1681	1.0974	2.4115	2.4577	3.7492	3.1213	1.7963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.452	C1	C2	H7	120.378
C2	C1	H5	121.676	C2	C1	H6	121.631
C2	C3	Cl4	111.437	C2	C3	H8	112.603
C2	C3	H9	112.466	C3	C2	H7	116.164
Cl4	C3	H8	104.141	Cl4	C3	H9	105.911
H5	C1	H6	116.692	H8	C3	H9	109.763

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

using model chemistry: BLYP/6-31G**

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	-0.195
2	C	0.027
3	C	-0.288
4	Cl	-0.111
5	H	0.090
6	H	0.096
7	H	0.088
8	H	0.151
9	H	0.141

	x	y	z	Total
	2.056	1.050	0.263	2.324
CHELPG
AIM
ESP

	x	y	z
x	9.382	-0.196	-0.794
y	-0.196	4.656	-0.362
z	-0.794	-0.362	5.172

<r²>	133.324
(<r²>)^1/2	11.547

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

using model chemistry: BLYP/6-31G**

States and conformations

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