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	hartrees
Energy at 0K	-995.038884
Energy at 298.15K	-995.040680
HF Energy	-995.038884
Nuclear repulsion energy	176.085753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3158	3111	0.00
2	A_g	1639	1614	0.00
3	A_g	1245	1226	0.00
4	A_g	860	848	0.00
5	A_g	353	347	0.00
6	A_u	877	864	75.92
7	A_u	211	208	0.02
8	B_g	758	746	0.00
9	B_u	3155	3108	19.24
10	B_u	1173	1156	14.30
11	B_u	849	837	137.02
12	B_u	232	228	2.86
1	A_g	3158	3111	0.00
2	A_g	1640	1616	0.00
3	A_g	1244	1226	0.00
4	A_g	860	847	0.00
5	A_g	353	347	0.00
6	A_u	877	864	75.92
7	A_u	211	208	0.02
8	B_g	757	746	0.00
9	B_u	3155	3108	19.28
10	B_u	1173	1156	14.27
11	B_u	849	836	137.11
12	B_u	232	228	2.87

Atom	x (Å)	y (Å)
C1	-0.365	0.558
C2	0.365	-0.558
H3	-1.459	0.560
H4	1.459	-0.560
Cl5	0.365	2.110
Cl6	-0.365	-2.110
C1	-0.365	0.557
C2	0.365	-0.557
H3	-1.460	0.560
H4	1.460	-0.560
Cl5	0.365	2.110
Cl6	-0.365	-2.110

	C1	C2	H3	H4	Cl5	Cl6	C7	C8	H9	H10	Cl11	Cl12
C1		1.3329	1.0944	2.1396	1.7157	2.6676	0.0004	1.3327	1.0945	2.1399	1.7155	2.6674
C2	1.3329		2.1396	1.0944	2.6676	1.7157	1.3327	0.0004	2.1399	1.0945	2.6674	1.7155
H3	1.0944	2.1396		3.1264	2.3942	2.8855	1.0942	2.1395	0.0004	3.1266	2.3942	2.8853
H4	2.1396	1.0944	3.1264		2.8855	2.3942	2.1395	1.0942	3.1266	0.0004	2.8853	2.3942
Cl5	1.7157	2.6676	2.3942	2.8855		4.2829	1.7161	2.6673	2.3940	2.8859	0.0003	4.2827
Cl6	2.6676	1.7157	2.8855	2.3942	4.2829		2.6673	1.7161	2.8859	2.3940	4.2827	0.0003
C7	0.0004	1.3327	1.0942	2.1395	1.7161	2.6673		1.3325	1.0944	2.1398	1.7159	2.6671
C8	1.3327	0.0004	2.1395	1.0942	2.6673	1.7161	1.3325		2.1398	1.0944	2.6671	1.7159
H9	1.0945	2.1399	0.0004	3.1266	2.3940	2.8859	1.0944	2.1398		3.1269	2.3940	2.8857
H10	2.1399	1.0945	3.1266	0.0004	2.8859	2.3940	2.1398	1.0944	3.1269		2.8857	2.3940
Cl11	1.7155	2.6674	2.3942	2.8853	0.0003	4.2827	1.7159	2.6671	2.3940	2.8857		4.2825
Cl12	2.6674	1.7155	2.8853	2.3942	4.2827	0.0003	2.6671	1.7159	2.8857	2.3940	4.2825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.338	C1	C2	H4	123.405
C1	C2	Cl6	121.559	C1	C2	Cl6	121.595
C2	C1	H3	123.338	C2	C1	H3	123.405
C2	C1	Cl5	121.559	C2	C1	Cl5	121.595
H3	C1	Cl5	115.067	H3	C1	Cl5	115.035
H4	C2	Cl6	115.035	H4	C2	Cl6	115.067

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

using model chemistry: SVWN/6-31+G**

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	-0.302
2	C	-0.302
3	H	0.225
4	H	0.225
5	Cl	0.077
6	Cl	0.077
1	C	-0.302
2	C	-0.302
3	H	0.225
4	H	0.225
5	Cl	0.077
6	Cl	0.077

	x	y	z
x	5.899	0.615	0.000
y	0.615	11.599	0.000
z	0.000	0.000	4.361

<r²>	189.626
(<r²>)^1/2	13.770