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	hartrees
Energy at 0K	-574.711240
Energy at 298.15K	-574.718915
HF Energy	-574.336950
Nuclear repulsion energy	161.499341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3138	3043
2	A'	3116	3022
3	A'	3100	3007
4	A'	3033	2941
5	A'	1581	1533
6	A'	1569	1522
7	A'	1485	1440
8	A'	1302	1263
9	A'	1228	1191
10	A'	1098	1065
11	A'	872	846
12	A'	577	559
13	A'	415	402
14	A'	330	320
15	A'	271	263
16	A"	3125	3030
17	A"	3100	3006
18	A"	3029	2937
19	A"	1564	1516
20	A"	1558	1511
21	A"	1470	1426
22	A"	1403	1360
23	A"	1146	1111
24	A"	998	968
25	A"	973	943
26	A"	309	299
27	A"	252	244

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.980	1.011	0.000
C2	0.633	-0.062	0.000
C3	0.633	-0.902	1.287
C4	0.633	-0.902	-1.287
H5	1.431	0.686	0.000
H6	1.557	-1.501	1.325
H7	1.557	-1.501	-1.325
H8	0.588	-0.258	2.174
H9	0.588	-0.258	-2.174
H10	-0.232	-1.579	1.293
H11	-0.232	-1.579	-1.293

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.9372	2.8138	2.8138	2.4322	3.8076	3.8076	2.9658	2.9658	2.9895	2.9895
C2	1.9372		1.5369	1.5369	1.0940	2.1629	2.1629	2.1836	2.1836	2.1721	2.1721
C3	2.8138	1.5369		2.5746	2.1946	1.1013	2.8349	1.0971	3.5214	1.0980	2.8039
C4	2.8138	1.5369	2.5746		2.1946	2.8349	1.1013	3.5214	1.0971	2.8039	1.0980
H5	2.4322	1.0940	2.1946	2.1946		2.5602	2.5602	2.5160	2.5160	3.0927	3.0927
H6	3.8076	2.1629	1.1013	2.8349	2.5602		2.6504	1.7899	3.8379	1.7903	3.1714
H7	3.8076	2.1629	2.8349	1.1013	2.5602	2.6504		3.8379	1.7899	3.1714	1.7903
H8	2.9658	2.1836	1.0971	3.5214	2.5160	1.7899	3.8379		4.3488	1.7870	3.7996
H9	2.9658	2.1836	3.5214	1.0971	2.5160	3.8379	1.7899	4.3488		3.7996	1.7870
H10	2.9895	2.1721	1.0980	2.8039	3.0927	1.7903	3.1714	1.7870	3.7996		2.5854
H11	2.9895	2.1721	2.8039	1.0980	3.0927	3.1714	1.7903	3.7996	1.7870	2.5854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	107.621	Cl1	C2	C4	107.621
Cl1	C3	H5	56.491	C2	C3	H6	109.015
C2	C3	H8	110.889	C2	C3	H10	109.925
C2	C4	H7	109.015	C2	C4	H9	110.889
C2	C4	H11	109.925	C3	C2	C4	113.771
C3	C2	H5	111.952	C4	C2	H5	111.952
H6	C3	H8	109.009	H6	C3	H10	108.984
H7	C4	H9	109.009	H7	C4	H11	108.984
H8	C3	H10	108.987	H9	C4	H11	108.987

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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