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	hartrees
Energy at 0K	-616.964805
Energy at 298.15K	-616.974884
HF Energy	-616.217091
Nuclear repulsion energy	234.956018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3248	3035	16.20
2	A	3247	3034	16.35
3	A	3231	3019	18.20
4	A	3227	3015	25.93
5	A	3185	2976	17.53
6	A	3166	2959	4.03
7	A	3136	2930	17.98
8	A	3134	2928	19.50
9	A	3122	2917	15.14
10	A	1570	1467	5.20
11	A	1560	1458	8.01
12	A	1558	1456	1.05
13	A	1549	1447	5.59
14	A	1534	1433	0.71
15	A	1470	1373	3.72
16	A	1466	1369	4.95
17	A	1442	1347	0.25
18	A	1377	1287	24.56
19	A	1363	1274	1.54
20	A	1319	1232	10.13
21	A	1225	1144	5.44
22	A	1175	1098	2.14
23	A	1141	1066	3.54
24	A	1082	1011	1.61
25	A	1042	973	7.71
26	A	1004	938	4.73
27	A	892	834	9.14
28	A	825	771	8.31
29	A	668	624	15.59
30	A	474	443	1.00
31	A	404	377	1.28
32	A	339	317	0.86
33	A	270	252	0.16
34	A	245	229	0.18
35	A	229	214	0.80
36	A	120	113	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	-1.337	1.442	-0.009
H2	-1.503	1.445	-1.084
H3	-2.278	1.218	0.486
H4	-1.012	2.436	0.296
C5	-0.272	0.428	0.357
H6	-0.131	0.407	1.437
Cl7	-0.858	-1.219	-0.070
C8	1.059	0.703	-0.323
H9	1.319	1.740	-0.097
H10	0.916	0.641	-1.403
C11	2.190	-0.213	0.117
H12	2.342	-0.150	1.194
H13	1.974	-1.248	-0.133
H14	3.122	0.067	-0.369

	C1	H2	H3	H4	C5	H6	Cl7	C8	H9	H10	C11	H12	H13	H14
C1		1.0877	1.0865	1.0892	1.5156	2.1485	2.7050	2.5272	2.6741	2.7681	3.8987	4.1855	4.2682	4.6803
H2	1.0877		1.7651	1.7683	2.1510	3.0521	2.9232	2.7743	3.0044	2.5698	4.2234	4.7456	4.5001	4.8791
H3	1.0865	1.7651		1.7672	2.1600	2.4841	2.8748	3.4721	3.6811	3.7553	4.7065	4.8702	4.9543	5.5872
H4	1.0892	1.7683	1.7672		2.1411	2.4890	3.6770	2.7707	2.4644	3.1349	4.1602	4.3296	4.7619	4.8111
C5	1.5156	2.1510	2.1600	2.1411		1.0896	1.8000	1.5194	2.1111	2.1336	2.5556	2.8049	2.8450	3.4894
H6	2.1485	3.0521	2.4841	2.4890	1.0896		2.3334	2.1452	2.4965	3.0358	2.7418	2.5471	3.1047	3.7368
Cl7	2.7050	2.9232	2.8748	3.6770	1.8000	2.3334		2.7268	3.6739	2.8957	3.2159	3.6033	2.8334	4.1939
C8	2.5272	2.7743	3.4721	2.7707	1.5194	2.1452	2.7268		1.0925	1.0910	1.5208	2.1619	2.1632	2.1593
H9	2.6741	3.0044	3.6811	2.4644	2.1111	2.4965	3.6739	1.0925		1.7536	2.1492	2.5067	3.0589	2.4745
H10	2.7681	2.5698	3.7553	3.1349	2.1336	3.0358	2.8957	1.0910	1.7536		2.1594	3.0660	2.5095	2.5026
C11	3.8987	4.2234	4.7065	4.1602	2.5556	2.7418	3.2159	1.5208	2.1492	2.1594		1.0891	1.0864	1.0878
H12	4.1855	4.7456	4.8702	4.3296	2.8049	2.5471	3.6033	2.1619	2.5067	3.0660	1.0891		1.7614	1.7603
H13	4.2682	4.5001	4.9543	4.7619	2.8450	3.1047	2.8334	2.1632	3.0589	2.5095	1.0864	1.7614		1.7614
H14	4.6803	4.8791	5.5872	4.8111	3.4894	3.7368	4.1939	2.1593	2.4745	2.5026	1.0878	1.7603	1.7614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.039	C1	C5	Cl7	109.044
C1	C5	C8	112.748	H2	C1	H3	108.542
H2	C1	H4	108.639	H2	C1	C5	110.350
H3	C1	H4	108.631	H3	C1	C5	111.141
H4	C1	C5	109.480	C5	C8	H9	106.711
C5	C8	H10	108.521	C5	C8	C11	114.408
H6	C5	Cl7	105.033	H6	C5	C8	109.510
Cl7	C5	C8	110.182	C8	C11	H12	110.775
C8	C11	H13	111.035	C8	C11	H14	110.642
H9	C8	H10	106.856	H9	C8	C11	109.564
H10	C8	C11	110.454	H12	C11	H13	108.126
H12	C11	H14	107.929	H13	C11	H14	108.220

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

using model chemistry: MP2=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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