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	hartrees
Energy at 0K	-34.813741
Energy at 298.15K	-34.818665
Nuclear repulsion energy	58.001878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3250	3147	37.44
2	A	3206	3104	16.76
3	A	3184	3083	2.28
4	A	3149	3050	11.29
5	A	3116	3017	28.88
6	A	1690	1637	0.75
7	A	1495	1448	10.72
8	A	1452	1406	11.78
9	A	1326	1284	0.48
10	A	1277	1237	33.75
11	A	1219	1181	4.82
12	A	1108	1073	6.64
13	A	1039	1006	17.03
14	A	998	967	94.16
15	A	952	922	15.24
16	A	904	875	5.54
17	A	713	691	68.57
18	A	555	537	28.01
19	A	396	383	1.95
20	A	272	264	11.16
21	A	108	105	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	2.259	-0.296	-0.292
C2	1.176	-0.010	0.496
C3	0.011	0.807	-0.001
Cl4	-1.594	-0.271	-0.068
H5	2.319	0.036	-1.334
H6	3.106	-0.871	0.098
H7	1.126	-0.366	1.530
H8	-0.273	1.623	0.678
H9	0.144	1.173	-1.027

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3695	2.5213	3.8594	1.0951	1.0953	2.1463	3.3214	2.6779
C2	1.3695		1.5081	2.8392	2.1583	2.1504	1.0941	2.1903	2.1874
C3	2.5213	1.5081		1.9342	2.7750	3.5224	2.2284	1.0984	1.0967
Cl4	3.8594	2.8392	1.9342		4.1241	4.7408	3.1561	2.4262	2.4539
H5	1.0951	2.1583	2.7750	4.1241		1.8681	3.1281	3.6447	2.4738
H6	1.0953	2.1504	3.5224	4.7408	1.8681		2.4951	4.2393	3.7703
H7	2.1463	1.0941	2.2284	3.1561	3.1281	2.4951		2.5765	3.1415
H8	3.3214	2.1903	1.0984	2.4262	3.6447	4.2393	2.5765		1.8116
H9	2.6779	2.1874	1.0967	2.4539	2.4738	3.7703	3.1415	1.8116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.295	C1	C2	H7	120.781
C2	C1	H5	121.863	C2	C1	H6	121.087
C2	C3	Cl4	110.528	C2	C3	H8	113.423
C2	C3	H9	113.287	C3	C2	H7	116.924
Cl4	C3	H8	102.767	Cl4	C3	H9	104.717
H5	C1	H6	117.051	H8	C3	H9	111.239

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

using model chemistry: B3LYP/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	-0.538
2	C	0.111
3	C	-0.580
4	Cl	-0.120
5	H	0.231
6	H	0.181
7	H	0.283
8	H	0.205
9	H	0.229

	x	y	z	Total
	2.595	1.304	0.124	2.907
CHELPG
AIM
ESP

	x	y	z
x	9.706	0.188	-0.919
y	0.188	4.419	-0.004
z	-0.919	-0.004	4.533

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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