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	hartrees
Energy at 0K	-576.521439
Energy at 298.15K	-576.526386
Nuclear repulsion energy	145.896271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3322	3074	10.91
2	A'	3250	3007	13.37
3	A'	3235	2993	3.19
4	A'	3130	2896	20.53
5	A'	1793	1659	16.92
6	A'	1559	1442	6.40
7	A'	1496	1384	3.47
8	A'	1422	1316	36.28
9	A'	1316	1218	0.74
10	A'	1149	1063	1.34
11	A'	979	905	20.03
12	A'	798	738	46.40
13	A'	586	542	0.88
14	A'	237	220	0.67
15	A"	3186	2948	20.41
16	A"	1560	1444	10.46
17	A"	1118	1034	1.57
18	A"	997	922	1.17
19	A"	745	690	60.59
20	A"	415	384	1.73
21	A"	101	93	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.912	0.000
C2	-1.233	0.429	0.000
C3	-1.659	-1.006	0.000
Cl4	1.441	-0.061	0.000
H5	0.217	1.967	0.000
H6	-2.022	1.172	0.000
H7	-0.810	-1.683	0.000
H8	-2.269	-1.219	0.877
H9	-2.269	-1.219	-0.877

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3238	2.5355	1.7386	1.0772	2.0388	2.7182	3.2342	3.2342
C2	1.3238		1.4970	2.7186	2.1135	1.0841	2.1540	2.1357	2.1357
C3	2.5355	1.4970		3.2410	3.5151	2.2085	1.0853	1.0900	1.0900
Cl4	1.7386	2.7186	3.2410		2.3681	3.6763	2.7754	3.9852	3.9852
H5	1.0772	2.1135	3.5151	2.3681		2.3761	3.7916	4.1356	4.1356
H6	2.0388	1.0841	2.2085	3.6763	2.3761		3.1018	2.5593	2.5593
H7	2.7182	2.1540	1.0853	2.7754	3.7916	3.1018		1.7645	1.7645
H8	3.2342	2.1357	1.0900	3.9852	4.1356	2.5593	1.7645		1.7547
H9	3.2342	2.1357	1.0900	3.9852	4.1356	2.5593	1.7645	1.7547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.902	C1	C2	H6	115.349
C2	C1	Cl4	124.626	C2	C1	H5	123.016
C2	C3	H7	112.065	C2	C3	H8	110.293
C2	C3	H9	110.293	C3	C2	H6	116.750
Cl4	C1	H5	112.358	H7	C3	H8	108.420
H7	C3	H9	108.420	H8	C3	H9	107.199

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

using model chemistry: CISD/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(Z))

using model chemistry: CISD/6-311G*

States and conformations

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