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	hartrees
Energy at 0K	-1076.184284
Energy at 298.15K	-1076.193459
HF Energy	-1075.180373
Nuclear repulsion energy	328.198914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3127	2961	0.00
2	A_g	3088	2925	0.00
3	A_g	1529	1449	0.00
4	A_g	1523	1442	0.00
5	A_g	1435	1359	0.00
6	A_g	1354	1283	0.00
7	A_g	1125	1066	0.00
8	A_g	1078	1021	0.00
9	A_g	814	771	0.00
10	A_g	340	322	0.00
11	A_g	230	218	0.00
12	A_u	3198	3029	26.66
13	A_u	3154	2987	13.63
14	A_u	1363	1291	3.64
15	A_u	1180	1118	3.99
16	A_u	932	883	1.25
17	A_u	757	717	5.39
18	A_u	104	98	0.95
19	A_u	64	61	5.06
20	B_g	3196	3027	0.00
21	B_g	3137	2971	0.00
22	B_g	1365	1293	0.00
23	B_g	1305	1236	0.00
24	B_g	1126	1066	0.00
25	B_g	801	759	0.00
26	B_g	163	155	0.00
27	B_u	3127	2962	47.25
28	B_u	3095	2931	15.46
29	B_u	1545	1463	10.79
30	B_u	1519	1438	1.86
31	B_u	1406	1332	71.13
32	B_u	1272	1205	4.87
33	B_u	1079	1022	16.79
34	B_u	789	747	62.24
35	B_u	435	412	9.77
36	B_u	104	99	4.74

Atom	x (Å)	y (Å)	z (Å)
Cl1	1.415	-3.097	0.000
Cl2	-1.415	3.097	0.000
C3	-1.414	1.311	0.000
C4	1.414	-1.311	0.000
C5	0.000	0.764	0.000
C6	0.000	-0.764	0.000
H7	-1.960	0.991	0.888
H8	-1.960	0.991	-0.888
H9	1.960	-0.991	-0.888
H10	1.960	-0.991	0.888
H11	0.529	1.142	-0.880
H12	-0.529	-1.142	-0.880
H13	-0.529	-1.142	0.880
H14	0.529	1.142	0.880

	Cl1	Cl2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
Cl1		6.8105	5.2378	1.7868	4.1124	2.7288	5.3750	5.3750	2.3504	2.3504	4.4195	2.8945	2.8945	4.4195
Cl2	6.8105		1.7868	5.2378	2.7288	4.1124	2.3504	2.3504	5.3750	5.3750	2.8945	4.4195	4.4195	2.8945
C3	5.2378	1.7868		3.8564	1.5162	2.5108	1.0904	1.0904	4.1798	4.1798	2.1404	2.7520	2.7520	2.1404
C4	1.7868	5.2378	3.8564		2.5108	1.5162	4.1798	4.1798	1.0904	1.0904	2.7520	2.1404	2.1404	2.7520
C5	4.1124	2.7288	1.5162	2.5108		1.5280	2.1637	2.1637	2.7766	2.7766	1.0946	2.1652	2.1652	1.0946
C6	2.7288	4.1124	2.5108	1.5162	1.5280		2.7766	2.7766	2.1637	2.1637	2.1652	1.0946	1.0946	2.1652
H7	5.3750	2.3504	1.0904	4.1798	2.1637	2.7766		1.7762	4.7379	4.3923	3.0573	3.1181	2.5682	2.4940
H8	5.3750	2.3504	1.0904	4.1798	2.1637	2.7766	1.7762		4.3923	4.7379	2.4940	2.5682	3.1181	3.0573
H9	2.3504	5.3750	4.1798	1.0904	2.7766	2.1637	4.7379	4.3923		1.7762	2.5682	2.4940	3.0573	3.1181
H10	2.3504	5.3750	4.1798	1.0904	2.7766	2.1637	4.3923	4.7379	1.7762		3.1181	3.0573	2.4940	2.5682
H11	4.4195	2.8945	2.1404	2.7520	1.0946	2.1652	3.0573	2.4940	2.5682	3.1181		2.5176	3.0721	1.7606
H12	2.8945	4.4195	2.7520	2.1404	2.1652	1.0946	3.1181	2.5682	2.4940	3.0573	2.5176		1.7606	3.0721
H13	2.8945	4.4195	2.7520	2.1404	2.1652	1.0946	2.5682	3.1181	3.0573	2.4940	3.0721	1.7606		2.5176
H14	4.4195	2.8945	2.1404	2.7520	1.0946	2.1652	2.4940	3.0573	3.1181	2.5682	1.7606	3.0721	2.5176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C4	C6	111.147	Cl1	C4	H9	107.053
Cl1	C4	H10	107.053	Cl2	C3	C5	111.147
Cl2	C3	H7	107.053	Cl2	C3	H8	107.053
C3	C5	C6	111.134	C3	C5	H11	109.062
C3	C5	H14	109.062	C4	C6	C5	111.134
C4	C6	H12	109.062	C4	C6	H13	109.062
C5	C3	H7	111.166	C5	C3	H8	111.166
C5	C6	H12	110.206	C5	C6	H13	110.206
C6	C4	H9	111.166	C6	C4	H10	111.166
C6	C5	H11	110.206	C6	C5	H14	110.206
H7	C3	H8	109.078	H9	C4	H10	109.078
H11	C5	H14	107.070	H12	C6	H13	107.070

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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