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	hartrees
Energy at 0K	-616.954723
Energy at 298.15K	-616.964722
HF Energy	-616.235856
Nuclear repulsion energy	233.396240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3200	3048	14.23
2	A	3199	3047	14.27
3	A	3184	3032	17.23
4	A	3180	3029	24.20
5	A	3137	2988	16.81
6	A	3115	2967	5.43
7	A	3087	2940	16.30
8	A	3084	2938	25.12
9	A	3074	2928	17.84
10	A	1505	1434	5.29
11	A	1495	1424	9.97
12	A	1493	1422	0.54
13	A	1484	1414	7.07
14	A	1469	1399	0.73
15	A	1415	1348	1.10
16	A	1408	1341	7.12
17	A	1394	1328	0.29
18	A	1327	1264	16.94
19	A	1317	1254	3.68
20	A	1270	1210	11.35
21	A	1191	1135	6.79
22	A	1152	1098	2.32
23	A	1104	1052	2.42
24	A	1070	1019	2.60
25	A	1011	963	7.44
26	A	974	928	4.47
27	A	876	835	8.70
28	A	803	765	7.85
29	A	655	624	15.01
30	A	464	442	1.01
31	A	397	378	1.29
32	A	332	316	0.99
33	A	267	254	0.15
34	A	241	230	0.17
35	A	224	213	0.90
36	A	118	112	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-1.351	1.444	-0.009
H2	-1.517	1.444	-1.099
H3	-2.303	1.210	0.490
H4	-1.031	2.455	0.298
C5	-0.273	0.433	0.361
H6	-0.133	0.409	1.456
Cl7	-0.856	-1.228	-0.070
C8	1.063	0.712	-0.324
H9	1.325	1.763	-0.097
H10	0.915	0.648	-1.418
C11	2.200	-0.209	0.117
H12	2.357	-0.142	1.208
H13	1.976	-1.258	-0.130
H14	3.143	0.069	-0.379

	C1	H2	H3	H4	C5	H6	Cl7	C8	H9	H10	C11	H12	H13	H14
C1		1.1023	1.1007	1.1037	1.5234	2.1687	2.7186	2.5419	2.6960	2.7839	3.9188	4.2130	4.2882	4.7147
H2	1.1023		1.7880	1.7917	2.1681	3.0848	2.9384	2.7915	3.0305	2.5786	4.2459	4.7800	4.5215	4.9125
H3	1.1007	1.7880		1.7909	2.1772	2.5074	2.8897	3.4988	3.7168	3.7828	4.7360	4.9056	4.9789	5.6325
H4	1.1037	1.7917	1.7909		2.1600	2.5168	3.7057	2.7946	2.4869	3.1612	4.1914	4.3651	4.7975	4.8558
C5	1.5234	2.1681	2.1772	2.1600		1.1040	1.8130	1.5273	2.1288	2.1500	2.5667	2.8228	2.8572	3.5150
H6	2.1687	3.0848	2.5074	2.5168	1.1040		2.3526	2.1655	2.5234	3.0679	2.7592	2.5622	3.1214	3.7703
Cl7	2.7186	2.9384	2.8897	3.7057	1.8130	2.3526		2.7406	3.7020	2.9108	3.2268	3.6251	2.8332	4.2162
C8	2.5419	2.7915	3.4988	2.7946	1.5273	2.1655	2.7406		1.1068	1.1053	1.5284	2.1799	2.1803	2.1785
H9	2.6960	3.0305	3.7168	2.4869	2.1288	2.5234	3.7020	1.1068		1.7763	2.1681	2.5291	3.0909	2.5014
H10	2.7839	2.5786	3.7828	3.1612	2.1500	3.0679	2.9108	1.1053	1.7763		2.1779	3.0982	2.5338	2.5264
C11	3.9188	4.2459	4.7360	4.1914	2.5667	2.7592	3.2268	1.5284	2.1681	2.1779		1.1037	1.1010	1.1021
H12	4.2130	4.7800	4.9056	4.3651	2.8228	2.5622	3.6251	2.1799	2.5291	3.0982	1.1037		1.7838	1.7832
H13	4.2882	4.5215	4.9789	4.7975	2.8572	3.1214	2.8332	2.1803	3.0909	2.5338	1.1010	1.7838		1.7850
H14	4.7147	4.9125	5.6325	4.8558	3.5150	3.7703	4.2162	2.1785	2.5014	2.5264	1.1021	1.7832	1.7850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.242	C1	C5	Cl7	108.836
C1	C5	C8	112.867	H2	C1	H3	108.508
H2	C1	H4	108.620	H2	C1	C5	110.300
H3	C1	H4	108.665	H3	C1	C5	111.116
H4	C1	C5	109.576	C5	C8	H9	106.742
C5	C8	H10	108.444	C5	C8	C11	114.276
H6	C5	Cl7	104.895	H6	C5	C8	109.724
Cl7	C5	C8	109.970	C8	C11	H12	110.797
C8	C11	H13	110.993	C8	C11	H14	110.785
H9	C8	H10	106.833	H9	C8	C11	109.679
H10	C8	C11	110.541	H12	C11	H13	108.017
H12	C11	H14	107.884	H13	C11	H14	108.245

All results from a given calculation for CH₃CHClCH₂CH₃ (Butane, 2-chloro-)

using model chemistry: MP2/cc-pVDZ

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 CH3CHClCH2CH3 (Butane, 2-chloro-)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHClCH₂CH₃ (Butane, 2-chloro-)