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	hartrees
Energy at 0K	-571.057140
Energy at 298.15K	-571.064648
HF Energy	-570.886925
Nuclear repulsion energy	162.424828

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'	3568	3111	0.83	29.65	0.74	0.85
2	A'	3558	3102	0.54	50.57	0.75	0.85
3	A'	3440	3000	1.99	34.66	0.39	0.56
4	A'	3378	2946	0.81	71.14	0.01	0.02
5	A'	1724	1503	1.71	6.20	0.75	0.86
6	A'	1716	1496	1.99	21.51	0.75	0.86
7	A'	1611	1405	0.22	3.70	0.49	0.66
8	A'	1439	1255	44.66	6.40	0.57	0.73
9	A'	1319	1150	12.03	3.27	0.73	0.84
10	A'	1200	1046	10.66	5.39	0.62	0.76
11	A'	1005	877	4.40	10.15	0.73	0.84
12	A'	749	653	10.49	14.30	0.22	0.36
13	A'	437	381	1.07	1.23	0.29	0.45
14	A'	340	297	0.81	0.76	0.59	0.74
15	A'	243	212	0.09	0.03	0.70	0.82
16	A"	3567	3110	0.15	13.43	0.75	0.86
17	A"	3557	3101	0.20	6.56	0.75	0.86
18	A"	3379	2946	0.64	1.49	0.75	0.86
19	A"	1716	1496	0.33	13.45	0.75	0.86
20	A"	1712	1492	0.16	15.04	0.75	0.86
21	A"	1602	1397	0.08	5.99	0.75	0.86
22	A"	1504	1312	8.53	5.18	0.75	0.86
23	A"	1259	1097	4.37	6.98	0.75	0.86
24	A"	1070	933	0.28	3.61	0.75	0.86
25	A"	1044	910	0.72	0.03	0.75	0.86
26	A"	325	283	2.68	1.88	0.75	0.86
27	A"	225	196	0.00	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.901	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	0.613	0.000
H6	1.482	-1.562	1.316
H7	1.482	-1.562	-1.316
H8	0.574	-0.288	2.195
H9	0.574	-0.288	-2.195
H10	-0.312	-1.585	1.328
H11	-0.312	-1.585	-1.328

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8497	2.7912	2.7912	2.3973	3.7720	3.7720	2.9632	2.9632	3.0075	3.0075
C2	1.8497		1.5617	1.5617	1.1112	2.1897	2.1897	2.2063	2.2063	2.2049	2.2049
C3	2.7912	1.5617		2.5986	2.2019	1.1041	2.8388	1.1029	3.5531	1.1029	2.8492
C4	2.7912	1.5617	2.5986		2.2019	2.8388	1.1041	3.5531	1.1029	2.8492	1.1029
H5	2.3973	1.1112	2.2019	2.2019		2.5423	2.5423	2.5315	2.5315	3.1178	3.1178
H6	3.7720	2.1897	1.1041	2.8388	2.5423		2.6321	1.7946	3.8439	1.7946	3.1955
H7	3.7720	2.1897	2.8388	1.1041	2.5423	2.6321		3.8439	1.7946	3.1955	1.7946
H8	2.9632	2.2063	1.1029	3.5531	2.5315	1.7946	3.8439		4.3901	1.7939	3.8572
H9	2.9632	2.2063	3.5531	1.1029	2.5315	3.8439	1.7946	4.3901		3.8572	1.7939
H10	3.0075	2.2049	1.1029	2.8492	3.1178	1.7946	3.1955	1.7939	3.8572		2.6560
H11	3.0075	2.2049	2.8492	1.1029	3.1178	3.1955	1.7946	3.8572	1.7939	2.6560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.522	Cl1	C2	C4	109.522
Cl1	C3	H5	55.895	C2	C3	H6	109.247
C2	C3	H8	110.607	C2	C3	H10	110.498
C2	C4	H7	109.247	C2	C4	H9	110.607
C2	C4	H11	110.498	C3	C2	C4	112.597
C3	C2	H5	109.779	C4	C2	H5	109.779
H6	C3	H8	108.810	H6	C3	H10	108.805
H7	C4	H9	108.810	H7	C4	H11	108.805
H8	C3	H10	108.834	H9	C4	H11	108.834

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

using model chemistry: MP2/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/STO-3G

States and conformations

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