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	hartrees
Energy at 0K	-577.454202
Energy at 298.15K	-577.459205
Nuclear repulsion energy	143.106230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3232	3111	14.84
2	A	3170	3052	10.06
3	A	3152	3035	3.89
4	A	3142	3025	7.92
5	A	3092	2977	18.98
6	A	1721	1657	1.34
7	A	1493	1438	7.43
8	A	1454	1399	9.55
9	A	1333	1283	5.37
10	A	1302	1254	33.79
11	A	1242	1195	1.45
12	A	1132	1090	2.31
13	A	1027	988	16.91
14	A	960	924	7.12
15	A	954	918	47.70
16	A	912	878	8.20
17	A	750	722	66.06
18	A	603	580	10.71
19	A	405	390	0.93
20	A	283	272	6.47
21	A	109	104	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	2.222	-0.198	-0.308
C2	1.132	-0.126	0.449
C3	-0.032	0.742	0.132
Cl4	-1.542	-0.240	-0.112
H5	2.316	0.367	-1.232
H6	3.064	-0.823	-0.031
H7	1.059	-0.711	1.363
H8	-0.267	1.425	0.949
H9	0.119	1.312	-0.783

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3288	2.4813	3.7691	1.0871	1.0853	2.0999	3.2261	2.6320
C2	1.3288		1.4861	2.7345	2.1145	2.1096	1.0880	2.1478	2.1478
C3	2.4813	1.4861		1.8171	2.7416	3.4733	2.1945	1.0908	1.0893
Cl4	3.7691	2.7345	1.8171		4.0628	4.6437	3.0271	2.3503	2.3701
H5	1.0871	2.1145	2.7416	4.0628		1.8491	3.0789	3.5426	2.4335
H6	1.0853	2.1096	3.4733	4.6437	1.8491		2.4453	4.1367	3.7149
H7	2.0999	1.0880	2.1945	3.0271	3.0789	2.4453		2.5477	3.0959
H8	3.2261	2.1478	1.0908	2.3503	3.5426	4.1367	2.5477		1.7788
H9	2.6320	2.1478	1.0893	2.3701	2.4335	3.7149	3.0959	1.7788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.548	C1	C2	H7	120.329
C2	C1	H5	121.824	C2	C1	H6	121.494
C2	C3	Cl4	111.360	C2	C3	H8	112.004
C2	C3	H9	112.094	C3	C2	H7	116.119
Cl4	C3	H8	105.093	Cl4	C3	H9	106.567
H5	C1	H6	116.682	H8	C3	H9	109.352

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

using model chemistry: B3PW91/6-311G*

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	-0.430
2	C	-0.148
3	C	-0.560
4	Cl	-0.091
5	H	0.221
6	H	0.229
7	H	0.225
8	H	0.280
9	H	0.274

	x	y	z	Total
	2.007	1.025	0.306	2.274
CHELPG
AIM
ESP

	x	y	z
x	9.364	0.098	-0.769
y	0.098	4.932	-0.272
z	-0.769	-0.272	5.128

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/6-311G*

States and conformations

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