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	hartrees
Energy at 0K	-577.879646
Energy at 298.15K	-577.887500
HF Energy	-577.215210
Nuclear repulsion energy	166.588207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3193	3024	21.97	56.99	0.60	0.75
2	A'	3176	3008	33.36	106.13	0.73	0.84
3	A'	3138	2972	5.48	119.08	0.43	0.60
4	A'	3085	2922	16.29	233.77	0.01	0.02
5	A'	1546	1464	12.85	0.56	0.75	0.86
6	A'	1533	1452	7.94	15.74	0.75	0.86
7	A'	1460	1383	10.41	1.44	0.44	0.61
8	A'	1352	1280	35.17	8.21	0.74	0.85
9	A'	1222	1157	12.84	0.93	0.66	0.79
10	A'	1118	1059	17.47	5.03	0.48	0.65
11	A'	936	886	8.57	7.49	0.66	0.79
12	A'	674	639	21.71	14.53	0.26	0.41
13	A'	436	413	1.46	0.97	0.22	0.36
14	A'	352	333	0.96	1.12	0.73	0.85
15	A'	295	280	0.11	0.05	0.67	0.80
16	A"	3190	3021	10.75	41.33	0.75	0.86
17	A"	3171	3003	1.21	14.04	0.75	0.86
18	A"	3082	2919	11.93	1.61	0.75	0.86
19	A"	1522	1442	0.27	19.12	0.75	0.86
20	A"	1518	1438	3.65	1.81	0.75	0.86
21	A"	1445	1369	17.47	1.22	0.75	0.86
22	A"	1383	1309	0.74	2.85	0.75	0.86
23	A"	1186	1123	1.90	3.63	0.75	0.86
24	A"	981	929	0.01	2.26	0.75	0.86
25	A"	961	911	1.95	0.06	0.75	0.86
26	A"	336	318	1.16	1.17	0.75	0.86
27	A"	260	247	0.05	0.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.883	1.009	0.000
C2	0.566	-0.060	0.000
C3	0.566	-0.896	1.265
C4	0.566	-0.896	-1.265
H5	1.420	0.621	0.000
H6	1.461	-1.524	1.291
H7	1.461	-1.524	-1.291
H8	0.559	-0.265	2.155
H9	0.559	-0.265	-2.155
H10	-0.314	-1.542	1.295
H11	-0.314	-1.542	-1.295

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8007	2.7071	2.7071	2.3353	3.6849	3.6849	2.8888	2.8888	2.9164	2.9164
C2	1.8007		1.5163	1.5163	1.0919	2.1476	2.1476	2.1643	2.1643	2.1554	2.1554
C3	2.7071	1.5163		2.5301	2.1516	1.0938	2.7804	1.0907	3.4774	1.0920	2.7827
C4	2.7071	1.5163	2.5301		2.1516	2.7804	1.0938	3.4774	1.0907	2.7827	1.0920
H5	2.3353	1.0919	2.1516	2.1516		2.5041	2.5041	2.4832	2.4832	3.0591	3.0591
H6	3.6849	2.1476	1.0938	2.7804	2.5041		2.5826	1.7732	3.7779	1.7750	3.1365
H7	3.6849	2.1476	2.7804	1.0938	2.5041	2.5826		3.7779	1.7732	3.1365	1.7750
H8	2.8888	2.1643	1.0907	3.4774	2.4832	1.7732	3.7779		4.3091	1.7701	3.7803
H9	2.8888	2.1643	3.4774	1.0907	2.4832	3.7779	1.7732	4.3091		3.7803	1.7701
H10	2.9164	2.1554	1.0920	2.7827	3.0591	1.7750	3.1365	1.7701	3.7803		2.5892
H11	2.9164	2.1554	2.7827	1.0920	3.0591	3.1365	1.7750	3.7803	1.7701	2.5892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.103	Cl1	C2	C4	109.103
Cl1	C3	H5	56.059	C2	C3	H6	109.679
C2	C3	H8	111.185	C2	C3	H10	110.402
C2	C4	H7	109.679	C2	C4	H9	111.185
C2	C4	H11	110.402	C3	C2	C4	113.088
C3	C2	H5	110.102	C4	C2	H5	110.102
H6	C3	H8	108.527	H6	C3	H10	108.601
H7	C4	H9	108.527	H7	C4	H11	108.601
H8	C3	H10	108.382	H9	C4	H11	108.382

All results from a given calculation for CH₃CHClCH₃ (Propane, 2-chloro-)

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 CH3CHClCH3 (Propane, 2-chloro-)

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

States and conformations

All results from a given calculation for CH₃CHClCH₃ (Propane, 2-chloro-)