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	hartrees
Energy at 0K	-1076.135819
Energy at 298.15K	-1076.144932
HF Energy	-1075.130836
Nuclear repulsion energy	328.158017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3144	2969	0.00
2	A_g	3109	2936	0.00
3	A_g	1514	1430	0.00
4	A_g	1513	1429	0.00
5	A_g	1403	1325	0.00
6	A_g	1313	1241	0.00
7	A_g	1113	1051	0.00
8	A_g	1067	1008	0.00
9	A_g	808	763	0.00
10	A_g	334	315	0.00
11	A_g	228	215	0.00
12	A_u	3217	3039	11.62
13	A_u	3178	3002	7.98
14	A_u	1335	1261	1.48
15	A_u	1148	1084	1.27
16	A_u	910	859	0.60
17	A_u	754	712	4.31
18	A_u	108	102	1.09
19	A_u	63	59	5.03
20	B_g	3215	3037	0.00
21	B_g	3162	2986	0.00
22	B_g	1339	1265	0.00
23	B_g	1278	1207	0.00
24	B_g	1095	1034	0.00
25	B_g	787	743	0.00
26	B_g	158	150	0.00
27	B_u	3145	2970	27.84
28	B_u	3116	2944	8.56
29	B_u	1531	1446	6.70
30	B_u	1510	1426	0.91
31	B_u	1365	1290	58.50
32	B_u	1244	1175	7.36
33	B_u	1068	1009	16.69
34	B_u	782	738	63.95
35	B_u	427	403	10.73
36	B_u	102	96	4.44

Atom	x (Å)	y (Å)	z (Å)
Cl1	1.438	-3.087	0.000
Cl2	-1.438	3.087	0.000
C3	-1.421	1.299	0.000
C4	1.421	-1.299	0.000
C5	0.000	0.765	0.000
C6	0.000	-0.765	0.000
H7	-1.967	0.979	0.886
H8	-1.967	0.979	-0.886
H9	1.967	-0.979	-0.886
H10	1.967	-0.979	0.886
H11	0.526	1.145	-0.880
H12	-0.526	-1.145	-0.880
H13	-0.526	-1.145	0.880
H14	0.526	1.145	0.880

	Cl1	Cl2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
Cl1		6.8109	5.2356	1.7876	4.1115	2.7312	5.3771	5.3771	2.3473	2.3473	4.4178	2.8984	2.8984	4.4178
Cl2	6.8109		1.7876	5.2356	2.7312	4.1115	2.3473	2.3473	5.3771	5.3771	2.8984	4.4178	4.4178	2.8984
C3	5.2356	1.7876		3.8506	1.5179	2.5059	1.0897	1.0897	4.1780	4.1780	2.1415	2.7479	2.7479	2.1415
C4	1.7876	5.2356	3.8506		2.5059	1.5179	4.1780	4.1780	1.0897	1.0897	2.7479	2.1415	2.1415	2.7479
C5	4.1115	2.7312	1.5179	2.5059		1.5299	2.1685	2.1685	2.7744	2.7744	1.0932	2.1677	2.1677	1.0932
C6	2.7312	4.1115	2.5059	1.5179	1.5299		2.7744	2.7744	2.1685	2.1685	2.1677	1.0932	1.0932	2.1677
H7	5.3771	2.3473	1.0897	4.1780	2.1685	2.7744		1.7727	4.7391	4.3951	3.0599	3.1160	2.5672	2.4987
H8	5.3771	2.3473	1.0897	4.1780	2.1685	2.7744	1.7727		4.3951	4.7391	2.4987	2.5672	3.1160	3.0599
H9	2.3473	5.3771	4.1780	1.0897	2.7744	2.1685	4.7391	4.3951		1.7727	2.5672	2.4987	3.0599	3.1160
H10	2.3473	5.3771	4.1780	1.0897	2.7744	2.1685	4.3951	4.7391	1.7727		3.1160	3.0599	2.4987	2.5672
H11	4.4178	2.8984	2.1415	2.7479	1.0932	2.1677	3.0599	2.4987	2.5672	3.1160		2.5201	3.0736	1.7597
H12	2.8984	4.4178	2.7479	2.1415	2.1677	1.0932	3.1160	2.5672	2.4987	3.0599	2.5201		1.7597	3.0736
H13	2.8984	4.4178	2.7479	2.1415	2.1677	1.0932	2.5672	3.1160	3.0599	2.4987	3.0736	1.7597		2.5201
H14	4.4178	2.8984	2.1415	2.7479	1.0932	2.1677	2.4987	3.0599	3.1160	2.5672	1.7597	3.0736	2.5201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C4	C6	111.173	Cl1	C4	H9	106.815
Cl1	C4	H10	106.815	Cl2	C3	C5	111.173
Cl2	C3	H7	106.815	Cl2	C3	H8	106.815
C3	C5	C6	110.617	C3	C5	H11	109.123
C3	C5	H14	109.123	C4	C6	C5	110.617
C4	C6	H12	109.123	C4	C6	H13	109.123
C5	C3	H7	111.476	C5	C3	H8	111.476
C5	C6	H12	110.354	C5	C6	H13	110.354
C6	C4	H9	111.476	C6	C4	H10	111.476
C6	C5	H11	110.354	C6	C5	H14	110.354
H7	C3	H8	108.861	H9	C4	H10	108.861
H11	C5	H14	107.192	H12	C6	H13	107.192

All results from a given calculation for C₄H₈Cl₂ (1,4-Dichlorobutane)

using model chemistry: MP2/6-31G(2df,p)

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 C4H8Cl2 (1,4-Dichlorobutane)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₈Cl₂ (1,4-Dichlorobutane)