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	hartrees
Energy at 0K	-56.823735
Energy at 298.15K	-56.832854
HF Energy	-56.004784
Nuclear repulsion energy	137.095422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3195	3044	0.00
2	A_g	3183	3033	0.00
3	A_g	3124	2976	0.00
4	A_g	3081	2936	0.00
5	A_g	1532	1460	0.00
6	A_g	1523	1451	0.00
7	A_g	1449	1380	0.00
8	A_g	1417	1350	0.00
9	A_g	1317	1255	0.00
10	A_g	1209	1152	0.00
11	A_g	1166	1111	0.00
12	A_g	1055	1005	0.00
13	A_g	879	838	0.00
14	A_g	737	703	0.00
15	A_g	483	461	0.00
16	A_g	358	341	0.00
17	A_g	294	280	0.00
18	A_g	229	218	0.00
19	A_u	3195	3045	19.30
20	A_u	3184	3033	34.87
21	A_u	3137	2989	12.94
22	A_u	3081	2935	21.77
23	A_u	1533	1461	22.37
24	A_u	1520	1448	8.43
25	A_u	1447	1379	22.52
26	A_u	1338	1275	4.69
27	A_u	1258	1198	38.32
28	A_u	1116	1063	7.40
29	A_u	1043	994	29.30
30	A_u	987	941	10.17
31	A_u	703	669	64.63
32	A_u	370	352	2.63
33	A_u	336	321	2.89
34	A_u	257	245	3.48
35	A_u	201	192	2.44
36	A_u	66	63	3.05

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.957	1.189	-1.554
Cl2	0.957	-1.189	1.554
C3	-1.884	-0.442	0.412
C4	1.884	0.442	-0.412
C5	-0.656	0.398	0.058
C6	0.656	-0.398	-0.058
H7	-2.781	0.181	0.380
H8	2.781	-0.181	-0.380
H9	1.778	0.860	-1.416
H10	-1.778	-0.860	1.416
H11	-2.001	-1.259	-0.308
H12	2.001	1.259	0.308
H13	0.516	-1.215	-0.774
H14	-0.516	1.215	0.774

	Cl1	Cl2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
Cl1		4.3559	2.7174	3.1516	1.8206	2.7120	2.8433	4.1509	2.7578	3.7002	2.9387	3.4953	2.9246	2.3696
Cl2	4.3559		3.1516	2.7174	2.7120	1.8206	4.1509	2.8433	3.7002	2.7578	3.4953	2.9387	2.3696	2.9246
C3	2.7174	3.1516		3.9572	1.5297	2.5831	1.0931	4.7395	4.2949	1.0926	1.0949	4.2423	2.7863	2.1789
C4	3.1516	2.7174	3.9572		2.5831	1.5297	4.7395	1.0931	1.0926	4.2949	4.2423	1.0949	2.1789	2.7863
C5	1.8206	2.7120	1.5297	2.5831		1.5380	2.1610	3.5129	2.8822	2.1646	2.1653	2.8036	2.1598	1.0953
C6	2.7120	1.8206	2.5831	1.5297	1.5380		3.5129	2.1610	2.1646	2.8822	2.8036	2.1653	1.0953	2.1598
H7	2.8433	4.1509	1.0931	4.7395	2.1610	3.5129		5.6263	4.9470	1.7789	1.7768	4.9027	3.7621	2.5211
H8	4.1509	2.8433	4.7395	1.0931	3.5129	2.1610	5.6263		1.7789	4.9470	4.9027	1.7768	2.5211	3.7621
H9	2.7578	3.7002	4.2949	1.0926	2.8822	2.1646	4.9470	1.7789		4.8600	4.4718	1.7829	2.5117	3.1911
H10	3.7002	2.7578	1.0926	4.2949	2.1646	2.8822	1.7789	4.9470	4.8600		1.7829	4.4718	3.1911	2.5117
H11	2.9387	3.4953	1.0949	4.2423	2.1653	2.8036	1.7768	4.9027	4.4718	1.7829		4.7678	2.5600	3.0813
H12	3.4953	2.9387	4.2423	1.0949	2.8036	2.1653	4.9027	1.7768	1.7829	4.4718	4.7678		3.0813	2.5600
H13	2.9246	2.3696	2.7863	2.1789	2.1598	1.0953	3.7621	2.5211	2.5117	3.1911	2.5600	3.0813		3.0599
H14	2.3696	2.9246	2.1789	2.7863	1.0953	2.1598	2.5211	3.7621	3.1911	2.5117	3.0813	2.5600	3.0599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C5	C3	108.092	Cl1	C5	C6	107.407
Cl1	C5	H14	106.022	Cl2	C6	C4	108.092
Cl2	C6	C5	107.407	Cl2	C6	H13	106.022
C3	C5	C6	114.714	C3	C5	H14	111.129
C4	C6	C5	114.714	C4	C6	H13	111.129
C5	C3	H7	109.844	C5	C3	H10	110.156
C5	C3	H11	110.073	C5	C6	H13	109.047
C6	C4	H8	109.844	C6	C4	H9	110.156
C6	C4	H12	110.073	C6	C5	H14	109.047
H7	C3	H10	108.954	H7	C3	H11	108.597
H8	C4	H9	108.954	H8	C4	H12	108.597
H9	C4	H12	109.184	H10	C3	H11	109.184

All results from a given calculation for C₄H₈Cl₂ (Butane, 2,3-dichloro-, (r,s)-)

using model chemistry: MP2/CEP-121G*

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 (Butane, 2,3-dichloro-, (r*,s*)-)

using model chemistry: MP2/CEP-121G*

States and conformations

All results from a given calculation for C₄H₈Cl₂ (Butane, 2,3-dichloro-, (r,s)-)