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	hartrees
Energy at 0K	-34.044694
Energy at 298.15K	-34.049890
Nuclear repulsion energy	59.571419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3396	3068	24.28
2	A	3347	3024	16.53
3	A	3334	3012	2.28
4	A	3303	2984	11.77
5	A	3271	2955	29.11
6	A	1831	1654	1.30
7	A	1625	1468	3.84
8	A	1567	1416	10.84
9	A	1432	1294	37.17
10	A	1406	1270	38.29
11	A	1328	1200	0.63
12	A	1206	1089	1.79
13	A	1117	1009	18.21
14	A	1074	970	62.39
15	A	1010	913	7.41
16	A	981	887	7.24
17	A	816	737	83.52
18	A	649	586	11.88
19	A	429	387	1.06
20	A	305	275	6.11
21	A	113	102	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	2.235	-0.169	-0.310
C2	1.136	-0.169	0.431
C3	-0.040	0.733	0.170
Cl4	-1.547	-0.230	-0.123
H5	2.341	0.469	-1.174
H6	3.067	-0.812	-0.077
H7	1.051	-0.826	1.283
H8	-0.257	1.361	1.023
H9	0.112	1.349	-0.704

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3260	2.4935	3.7867	1.0792	1.0774	2.0906	3.2138	2.6388
C2	1.3260		1.5047	2.7400	2.1067	2.0979	1.0790	2.1518	2.1543
C3	2.4935	1.5047		1.8128	2.7468	3.4785	2.2051	1.0810	1.0799
Cl4	3.7867	2.7400	1.8128		4.0879	4.6505	3.0140	2.3468	2.3632
H5	1.0792	2.1067	2.7468	4.0879		1.8366	3.0625	3.5179	2.4418
H6	1.0774	2.0979	3.4785	4.6505	1.8366		2.4310	4.1208	3.7139
H7	2.0906	1.0790	2.2051	3.0140	3.0625	2.4310		2.5620	3.0924
H8	3.2138	2.1518	1.0810	2.3468	3.5179	4.1208	2.5620		1.7665
H9	2.6388	2.1543	1.0799	2.3632	2.4418	3.7139	3.0924	1.7665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.379	C1	C2	H7	120.407
C2	C1	H5	121.977	C2	C1	H6	121.246
C2	C3	Cl4	111.023	C2	C3	H8	111.599
C2	C3	H9	111.874	C3	C2	H7	116.207
Cl4	C3	H8	105.573	Cl4	C3	H9	106.810
H5	C1	H6	116.777	H8	C3	H9	109.666

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

using model chemistry: HF/CEP-121G*

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	-0.490
2	C	-0.010
3	C	-0.315
4	Cl	-0.195
5	H	0.194
6	H	0.188
7	H	0.218
8	H	0.200
9	H	0.210

	x	y	z	Total
	2.076	1.119	0.361	2.385
CHELPG
AIM
ESP

	x	y	z
x	9.151	0.216	-0.959
y	0.216	5.105	-0.214
z	-0.959	-0.214	5.333

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/CEP-121G*

States and conformations

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