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	hartrees
Energy at 0K	-576.450124
Energy at 298.15K	-576.455247
HF Energy	-575.971501
Nuclear repulsion energy	143.676713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3350	3101	12.75
2	A	3287	3043	6.01
3	A	3267	3025	8.00
4	A	3261	3019	2.60
5	A	3205	2967	17.19
6	A	1812	1678	0.84
7	A	1575	1458	4.27
8	A	1529	1416	8.63
9	A	1398	1295	18.11
10	A	1375	1273	26.10
11	A	1300	1203	0.59
12	A	1186	1098	1.22
13	A	1074	994	16.71
14	A	1012	937	42.54
15	A	1001	926	6.06
16	A	959	888	5.95
17	A	811	751	55.61
18	A	637	590	6.56
19	A	422	391	0.71
20	A	301	279	4.59
21	A	108	100	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	2.223	-0.169	-0.311
C2	1.126	-0.164	0.435
C3	-0.043	0.725	0.169
Cl4	-1.537	-0.229	-0.124
H5	2.325	0.466	-1.182
H6	3.061	-0.810	-0.078
H7	1.042	-0.817	1.296
H8	-0.259	1.367	1.019
H9	0.121	1.343	-0.709

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3265	2.4826	3.7645	1.0825	1.0808	2.0963	3.2072	2.6197
C2	1.3265		1.4928	2.7213	2.1091	2.1040	1.0833	2.1455	2.1426
C3	2.4826	1.4928		1.7965	2.7382	3.4721	2.1966	1.0869	1.0859
Cl4	3.7645	2.7213	1.7965		4.0635	4.6348	3.0019	2.3424	2.3581
H5	1.0825	2.1091	2.7382	4.0635		1.8404	3.0705	3.5115	2.4187
H6	1.0808	2.1040	3.4721	4.6348	1.8404		2.4426	4.1191	3.6985
H7	2.0963	1.0833	2.1966	3.0019	3.0705	2.4426		2.5567	3.0874
H8	3.2072	2.1455	1.0869	2.3424	3.5115	4.1191	2.5567		1.7698
H9	2.6197	2.1426	1.0859	2.3581	2.4187	3.6985	3.0874	1.7698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.326	C1	C2	H7	120.567
C2	C1	H5	121.884	C2	C1	H6	121.529
C2	C3	Cl4	111.316	C2	C3	H8	111.576
C2	C3	H9	111.404	C3	C2	H7	116.103
Cl4	C3	H8	106.027	Cl4	C3	H9	107.201
H5	C1	H6	116.588	H8	C3	H9	109.075

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

using model chemistry: CISD/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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All results from a given calculation for C3H5Cl (1-Propene, 3-chloro-)

using model chemistry: CISD/6-31G*

States and conformations

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