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	hartrees
Energy at 0K	-577.190341
Energy at 298.15K	-577.195213
HF Energy	-577.019319
Nuclear repulsion energy	145.351001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	3107	8.88
2	A'	3199	3037	12.13
3	A'	3185	3023	2.36
4	A'	3079	2923	18.91
5	A'	1724	1637	17.34
6	A'	1534	1457	3.33
7	A'	1463	1389	2.48
8	A'	1386	1316	37.26
9	A'	1285	1220	1.14
10	A'	1121	1064	0.62
11	A'	960	911	20.22
12	A'	770	731	46.46
13	A'	570	541	1.42
14	A'	229	217	1.08
15	A"	3134	2975	17.81
16	A"	1536	1458	7.32
17	A"	1090	1034	0.48
18	A"	953	905	0.95
19	A"	720	684	45.89
20	A"	404	383	2.04
21	A"	114	109	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.894	0.000
C2	-1.249	0.415	0.000
C3	-1.729	-1.001	0.000
Cl4	1.490	-0.052	0.000
H5	0.178	1.966	0.000
H6	-2.030	1.174	0.000
H7	-0.911	-1.715	0.000
H8	-2.353	-1.192	0.881
H9	-2.353	-1.192	-0.881

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3376	2.5653	1.7654	1.0865	2.0490	2.7631	3.2658	3.2658
C2	1.3376		1.4950	2.7787	2.1072	1.0893	2.1560	2.1396	2.1396
C3	2.5653	1.4950		3.3563	3.5267	2.1959	1.0854	1.0968	1.0968
Cl4	1.7654	2.7787	3.3563		2.4076	3.7277	2.9207	4.1048	4.1048
H5	1.0865	2.1072	3.5267	2.4076		2.3450	3.8381	4.1416	4.1416
H6	2.0490	1.0893	2.1959	3.7277	2.3450		3.0978	2.5455	2.5455
H7	2.7631	2.1560	1.0854	2.9207	3.8381	3.0978		1.7693	1.7693
H8	3.2658	2.1396	1.0968	4.1048	4.1416	2.5455	1.7693		1.7628
H9	3.2658	2.1396	1.0968	4.1048	4.1416	2.5455	1.7693	1.7628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	129.732	C1	C2	H6	114.805
C2	C1	Cl4	126.591	C2	C1	H5	120.402
C2	C3	H7	112.365	C2	C3	H8	110.336
C2	C3	H9	110.336	C3	C2	H6	115.463
Cl4	C1	H5	113.008	H7	C3	H8	108.336
H7	C3	H9	108.336	H8	C3	H9	106.951

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

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	-0.270
2	C	-0.071
3	C	-0.506
4	Cl	-0.036
5	H	0.195
6	H	0.161
7	H	0.187
8	H	0.170
9	H	0.170

	x	y	z
x	8.620	0.226	0.000
y	0.226	5.797	0.000
z	0.000	0.000	3.472

<r²>	120.791
(<r²>)^1/2	10.990

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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