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	hartrees
Energy at 0K	-576.216910
Energy at 298.15K	-576.221805
Nuclear repulsion energy	142.680990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3321	3114	6.87
2	A'	3204	3005	15.03
3	A'	3188	2989	3.13
4	A'	3087	2895	21.26
5	A'	1771	1661	12.71
6	A'	1576	1478	5.30
7	A'	1515	1421	4.86
8	A'	1419	1331	46.65
9	A'	1317	1235	1.00
10	A'	1151	1080	0.08
11	A'	975	914	13.36
12	A'	732	686	41.71
13	A'	557	522	5.35
14	A'	231	217	1.38
15	A"	3143	2948	22.82
16	A"	1574	1476	10.24
17	A"	1145	1073	0.54
18	A"	1008	945	2.27
19	A"	755	708	61.49
20	A"	415	389	1.86
21	A"	98	92	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.945	0.000
C2	-1.254	0.490	0.000
C3	-1.722	-0.945	0.000
Cl4	1.480	-0.132	0.000
H5	0.281	1.988	0.000
H6	-2.032	1.253	0.000
H7	-0.879	-1.641	0.000
H8	-2.338	-1.148	0.885
H9	-2.338	-1.148	-0.885

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3338	2.5568	1.8302	1.0802	2.0555	2.7316	3.2600	3.2600
C2	1.3338		1.5093	2.8033	2.1449	1.0901	2.1636	2.1539	2.1539
C3	2.5568	1.5093		3.3034	3.5518	2.2196	1.0929	1.0971	1.0971
Cl4	1.8302	2.8033	3.3034		2.4351	3.7752	2.8007	4.0486	4.0486
H5	1.0802	2.1449	3.5518	2.4351		2.4276	3.8102	4.1802	4.1802
H6	2.0555	1.0901	2.2196	3.7752	2.4276		3.1151	2.5763	2.5763
H7	2.7316	2.1636	1.0929	2.8007	3.8102	3.1151		1.7762	1.7762
H8	3.2600	2.1539	1.0971	4.0486	4.1802	2.5763	1.7762		1.7698
H9	3.2600	2.1539	1.0971	4.0486	4.1802	2.5763	1.7762	1.7698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.029	C1	C2	H6	115.625
C2	C1	Cl4	123.999	C2	C1	H5	125.054
C2	C3	H7	111.494	C2	C3	H8	110.459
C2	C3	H9	110.459	C3	C2	H6	116.346
Cl4	C1	H5	110.946	H7	C3	H8	108.392
H7	C3	H9	108.392	H8	C3	H9	107.523

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

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-chloro-1-propene(Z))

using model chemistry: CISD/6-31G

States and conformations

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