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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3121	3049
2	A_g	1534	1499
3	A_g	1396	1364
4	A_g	1095	1069
5	A_g	806	788
6	A_g	308	301
7	A_u	3201	3127
8	A_u	1186	1158
9	A_u	794	776
10	A_u	125	122
11	B_g	3181	3107
12	B_g	1330	1300
13	B_g	1054	1029
14	B_u	3128	3055
15	B_u	1535	1500
16	B_u	1303	1273
17	B_u	759	742
18	B_u	220	215

	hartrees
Energy at 0K	-997.746397
Energy at 298.15K	-997.751196
HF Energy	-997.085367
Nuclear repulsion energy	200.463968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3168	3095
2	A	3108	3037
3	A	1519	1484
4	A	1392	1360
5	A	1267	1238
6	A	1084	1059
7	A	994	971
8	A	690	674
9	A	267	261
10	A	121	118
11	B	3179	3105
12	B	3101	3029
13	B	1515	1480
14	B	1372	1340
15	B	1201	1173
16	B	928	907
17	B	719	702
18	B	419	409

Atom	x (Å)	y (Å)	z (Å)
C1	0.303	0.699	0.907
C2	-0.303	-0.699	0.907
Cl3	-0.303	1.696	-0.476
Cl4	0.303	-1.696	-0.476
H5	0.010	1.227	1.830
H6	1.401	0.661	0.825
H7	-0.010	-1.227	1.830
H8	-1.401	-0.661	0.825

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5234	1.8102	2.7655	1.1030	1.1009	2.1581	2.1814
C2	1.5234		2.7655	1.8102	2.1581	2.1814	1.1030	1.1009
Cl3	1.8102	2.7655		3.4455	2.3744	2.3811	3.7347	2.9074
Cl4	2.7655	1.8102	3.4455		3.7347	2.9074	2.3744	2.3811
H5	1.1030	2.1581	2.3744	3.7347		1.8065	2.4537	2.5616
H6	1.1009	2.1814	2.3811	2.9074	1.8065		2.5616	3.0973
H7	2.1581	1.1030	3.7347	2.3744	2.4537	2.5616		1.8065
H8	2.1814	1.1009	2.9074	2.3811	2.5616	3.0973	1.8065

All results from a given calculation for CH₂ClCH₂Cl (Ethane, 1,2-dichloro-)

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.825	C1	C2	H7	109.466
C1	C2	H8	111.436	C2	C1	Cl3	111.825
C2	C1	H5	109.466	C2	C1	H6	111.436
Cl3	C1	H5	106.650	Cl3	C1	H6	107.233
Cl4	C2	H7	106.650	Cl4	C2	H8	107.233
H5	C1	H6	110.102	H7	C2	H8	110.102

All results from a given calculation for CH2ClCH2Cl (Ethane, 1,2-dichloro-)

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

All results from a given calculation for CH₂ClCH₂Cl (Ethane, 1,2-dichloro-)