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	hartrees
Energy at 0K	-576.044922
Energy at 298.15K	-576.050154
Nuclear repulsion energy	144.054393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3365	3057	12.36
2	A	3311	3008	4.96
3	A	3294	2993	3.25
4	A	3280	2980	5.81
5	A	3234	2939	15.87
6	A	1841	1673	3.17
7	A	1613	1466	5.82
8	A	1568	1424	9.45
9	A	1430	1299	6.74
10	A	1400	1272	44.96
11	A	1329	1208	0.59
12	A	1203	1093	1.33
13	A	1129	1025	6.92
14	A	1086	987	61.29
15	A	1013	920	5.75
16	A	983	893	5.98
17	A	813	739	70.18
18	A	650	591	13.36
19	A	434	395	0.96
20	A	309	281	5.78
21	A	117	107	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	2.218	-0.169	-0.308
C2	1.129	-0.164	0.428
C3	-0.040	0.727	0.167
Cl4	-1.536	-0.229	-0.122
H5	2.323	0.464	-1.170
H6	3.046	-0.810	-0.074
H7	1.045	-0.815	1.280
H8	-0.258	1.354	1.016
H9	0.110	1.340	-0.705

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3144	2.4748	3.7587	1.0749	1.0734	2.0769	3.1943	2.6227
C2	1.3144		1.4922	2.7214	2.0915	2.0850	1.0754	2.1385	2.1410
C3	2.4748	1.4922		1.7989	2.7274	3.4560	2.1890	1.0781	1.0765
Cl4	3.7587	2.7214	1.7989		4.0581	4.6192	2.9945	2.3312	2.3475
H5	1.0749	2.0915	2.7274	4.0581		1.8299	3.0449	3.4978	2.4251
H6	1.0734	2.0850	3.4560	4.6192	1.8299		2.4163	4.0977	3.6939
H7	2.0769	1.0754	2.1890	2.9945	3.0449	2.4163		2.5441	3.0754
H8	3.1943	2.1385	1.0781	2.3312	3.4978	4.0977	2.5441		1.7604
H9	2.6227	2.1410	1.0765	2.3475	2.4251	3.6939	3.0754	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.589	C1	C2	H7	120.369
C2	C1	H5	121.852	C2	C1	H6	121.332
C2	C3	Cl4	111.224	C2	C3	H8	111.599
C2	C3	H9	111.897	C3	C2	H7	116.038
Cl4	C3	H8	105.495	Cl4	C3	H9	106.744
H5	C1	H6	116.817	H8	C3	H9	109.577

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.416
2	C	0.418
3	C	-0.364
4	Cl	-0.329
5	H	0.124
6	H	0.135
7	H	0.122
8	H	0.169
9	H	0.141

	x	y	z	Total
	1.899	1.027	0.332	2.184
CHELPG
AIM
ESP

	x	y	z
x	10.066	0.182	-0.708
y	0.182	6.339	-0.014
z	-0.708	-0.014	6.489

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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