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	hartrees
Energy at 0K	-996.686517
Energy at 298.15K	-996.688632
HF Energy	-995.934858
Nuclear repulsion energy	185.009259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3256	3134	0.88
2	A₁	1677	1614	29.76
3	A₁	1217	1172	0.14
4	A₁	732	704	17.38
5	A₁	169	162	0.29
6	A₂	905	871	0.00
7	A₂	415	399	0.00
8	B₁	719	692	50.70
9	B₂	3231	3110	14.27
10	B₂	1334	1283	27.83
11	B₂	873	840	64.37
12	B₂	577	556	4.73

Atom	y (Å)	z (Å)
C1	0.666	0.983
C2	-0.666	0.983
H3	1.208	1.908
H4	-1.208	1.908
Cl5	1.613	-0.459
Cl6	-1.613	-0.459

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3320	1.0720	2.0900	1.7254	2.6973
C2	1.3320		2.0900	1.0720	2.6973	1.7254
H3	1.0720	2.0900		2.4167	2.4012	3.6829
H4	2.0900	1.0720	2.4167		3.6829	2.4012
Cl5	1.7254	2.6973	2.4012	3.6829		3.2268
Cl6	2.6973	1.7254	3.6829	2.4012	3.2268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.394	C1	C2	Cl6	123.302
C2	C1	H3	120.394	C2	C1	Cl5	123.302
H3	C1	Cl5	116.304	H4	C2	Cl6	116.304

All results from a given calculation for CHClCHCl (Ethene, 1,2-dichloro-, (Z)-)

using model chemistry: QCISD/aug-cc-pVTZ

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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