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	hartrees
Energy at 0K	-576.667487
Energy at 298.15K	-576.672294
HF Energy	-576.018193
Nuclear repulsion energy	141.623253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3071	10.86
2	A'	3209	3040	7.13
3	A'	3175	3007	13.48
4	A'	3077	2915	21.59
5	A'	1706	1616	20.16
6	A'	1531	1450	13.15
7	A'	1454	1377	3.60
8	A'	1341	1270	3.66
9	A'	1306	1237	12.04
10	A'	1142	1082	1.34
11	A'	994	941	33.51
12	A'	840	796	31.34
13	A'	433	410	3.34
14	A'	263	250	0.57
15	A"	3154	2987	14.66
16	A"	1519	1438	10.41
17	A"	1081	1024	0.15
18	A"	960	909	62.01
19	A"	751	711	0.55
20	A"	236	224	0.66
21	A"	192	182	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.454	0.000
C2	0.915	-0.517	0.000
C3	2.389	-0.247	0.000
Cl4	-1.705	0.144	0.000
H5	0.244	1.511	0.000
H6	0.583	-1.552	0.000
H7	2.599	0.824	0.000
H8	2.865	-0.688	0.880
H9	2.865	-0.688	-0.880

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3345	2.4899	1.7328	1.0841	2.0896	2.6256	3.2074	3.2074
C2	1.3345		1.4985	2.7021	2.1355	1.0876	2.1530	2.1461	2.1461
C3	2.4899	1.4985		4.1126	2.7728	2.2290	1.0917	1.0935	1.0935
Cl4	1.7328	2.7021	4.1126		2.3804	2.8478	4.3577	4.7275	4.7275
H5	1.0841	2.1355	2.7728	2.3804		3.0815	2.4529	3.5321	3.5321
H6	2.0896	1.0876	2.2290	2.8478	3.0815		3.1172	2.5945	2.5945
H7	2.6256	2.1530	1.0917	4.3577	2.4529	3.1172		1.7699	1.7699
H8	3.2074	2.1461	1.0935	4.7275	3.5321	2.5945	1.7699		1.7604
H9	3.2074	2.1461	1.0935	4.7275	3.5321	2.5945	1.7699	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.917	C1	C2	H6	118.892
C2	C1	Cl4	122.984	C2	C1	H5	123.675
C2	C3	H7	111.488	C2	C3	H8	110.812
C2	C3	H9	110.812	C3	C2	H6	118.191
Cl4	C1	H5	113.341	H7	C3	H8	108.183
H7	C3	H9	108.183	H8	C3	H9	107.207

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(E))

using model chemistry: MP2=FULL/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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All results from a given calculation for C3H5Cl (1-chloro-1-propene(E))

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(E))