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	hartrees
Energy at 0K	-538.202935
Energy at 298.15K	-538.205629
HF Energy	-538.202935
Nuclear repulsion energy	88.089895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3152	4.22
2	A'	3158	3113	4.91
3	A'	3104	3059	0.28
4	A'	1624	1601	66.09
5	A'	1379	1359	9.57
6	A'	1281	1263	11.55
7	A'	1019	1004	20.58
8	A'	672	663	50.42
9	A'	395	389	0.42
10	A"	947	934	40.95
11	A"	881	869	32.30
12	A"	620	611	15.38

Atom	x (Å)	y (Å)
C1	0.000	0.769
C2	1.296	1.055
Cl3	-0.627	-0.873
H4	-0.792	1.510
H5	2.064	0.287
H6	1.609	2.096

	C1	C2	Cl3	H4	H5	H6
C1		1.3277	1.7570	1.0852	2.1192	2.0863
C2	1.3277		2.7233	2.1378	1.0857	1.0871
Cl3	1.7570	2.7233		2.3885	2.9300	3.7170
H4	1.0852	2.1378	2.3885		3.1070	2.4723
H5	2.1192	1.0857	2.9300	3.1070		1.8654
H6	2.0863	1.0871	3.7170	2.4723	1.8654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.505	C1	C2	H6	119.197
C2	C1	Cl3	123.370	C2	C1	H4	124.440
Cl3	C1	H4	112.190	H5	C2	H6	118.298

All results from a given calculation for C₂H₃Cl (Ethene, chloro-)

using model chemistry: B97D3/TZVP

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	-0.105
2	C	-0.233
3	Cl	-0.085
4	H	0.167
5	H	0.132
6	H	0.123

	x	y	z	Total
	0.605	1.356	0.000	1.485
CHELPG
AIM
ESP

	x	y	z
x	6.298	1.572	0.000
y	1.572	6.017	0.000
z	0.000	0.000	3.119

<r²>	69.468
(<r²>)^1/2	8.335

All results from a given calculation for C2H3Cl (Ethene, chloro-)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for C₂H₃Cl (Ethene, chloro-)