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	hartrees
Energy at 0K	-571.058591
Energy at 298.15K	-571.066099
HF Energy	-570.886964
Nuclear repulsion energy	162.447016

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'	3569	3172	0.82	29.64	0.74	0.85
2	A'	3559	3163	0.54	50.56	0.75	0.85
3	A'	3441	3059	2.00	34.64	0.39	0.56
4	A'	3379	3004	0.81	71.11	0.01	0.02
5	A'	1724	1532	1.71	6.20	0.75	0.86
6	A'	1716	1525	1.99	21.50	0.75	0.86
7	A'	1612	1433	0.22	3.70	0.49	0.66
8	A'	1440	1280	44.63	6.40	0.57	0.73
9	A'	1319	1173	12.03	3.26	0.73	0.84
10	A'	1200	1067	10.68	5.38	0.62	0.76
11	A'	1006	894	4.39	10.14	0.73	0.84
12	A'	750	666	10.48	14.30	0.22	0.36
13	A'	437	389	1.07	1.23	0.29	0.45
14	A'	340	303	0.81	0.76	0.59	0.74
15	A'	244	216	0.09	0.03	0.70	0.82
16	A"	3568	3171	0.15	13.43	0.75	0.86
17	A"	3558	3163	0.20	6.55	0.75	0.86
18	A"	3380	3004	0.64	1.49	0.75	0.86
19	A"	1716	1525	0.33	13.43	0.75	0.86
20	A"	1712	1522	0.16	15.05	0.75	0.86
21	A"	1602	1424	0.08	6.00	0.75	0.86
22	A"	1505	1338	8.51	5.18	0.75	0.86
23	A"	1259	1119	4.37	6.98	0.75	0.86
24	A"	1070	951	0.28	3.60	0.75	0.86
25	A"	1044	928	0.73	0.03	0.75	0.86
26	A"	325	289	2.67	1.88	0.75	0.86
27	A"	225	200	0.00	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.900	1.049	0.000
C2	0.576	-0.065	0.000
C3	0.576	-0.932	1.299
C4	0.576	-0.932	-1.299
H5	1.457	0.612	0.000
H6	1.482	-1.563	1.316
H7	1.482	-1.563	-1.316
H8	0.574	-0.288	2.195
H9	0.574	-0.288	-2.195
H10	-0.313	-1.585	1.328
H11	-0.313	-1.585	-1.328

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8494	2.7909	2.7909	2.3970	3.7716	3.7716	2.9629	2.9629	3.0072	3.0072
C2	1.8494		1.5614	1.5614	1.1111	2.1894	2.1894	2.2060	2.2060	2.2046	2.2046
C3	2.7909	1.5614		2.5980	2.2015	1.1040	2.8383	1.1028	3.5525	1.1028	2.8488
C4	2.7909	1.5614	2.5980		2.2015	2.8383	1.1040	3.5525	1.1028	2.8488	1.1028
H5	2.3970	1.1111	2.2015	2.2015		2.5419	2.5419	2.5312	2.5312	3.1174	3.1174
H6	3.7716	2.1894	1.1040	2.8383	2.5419		2.6316	1.7944	3.8434	1.7944	3.1951
H7	3.7716	2.1894	2.8383	1.1040	2.5419	2.6316		3.8434	1.7944	3.1951	1.7944
H8	2.9629	2.2060	1.1028	3.5525	2.5312	1.7944	3.8434		4.3895	1.7937	3.8568
H9	2.9629	2.2060	3.5525	1.1028	2.5312	3.8434	1.7944	4.3895		3.8568	1.7937
H10	3.0072	2.2046	1.1028	2.8488	3.1174	1.7944	3.1951	1.7937	3.8568		2.6557
H11	3.0072	2.2046	2.8488	1.1028	3.1174	3.1951	1.7944	3.8568	1.7937	2.6557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.527	Cl1	C2	C4	109.527
Cl1	C3	H5	55.898	C2	C3	H6	109.252
C2	C3	H8	110.612	C2	C3	H10	110.503
C2	C4	H7	109.252	C2	C4	H9	110.612
C2	C4	H11	110.503	C3	C2	C4	112.597
C3	C2	H5	109.773	C4	C2	H5	109.773
H6	C3	H8	108.805	H6	C3	H10	108.799
H7	C4	H9	108.805	H7	C4	H11	108.799
H8	C3	H10	108.829	H9	C4	H11	108.829

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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