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	hartrees
Energy at 0K	-577.826331
Energy at 298.15K	-577.834137
HF Energy	-577.214997
Nuclear repulsion energy	165.784890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	3007	33.81
2	A'	3123	2990	43.15
3	A'	3100	2968	1.47
4	A'	3045	2916	21.13
5	A'	1536	1470	10.74
6	A'	1524	1459	6.65
7	A'	1460	1398	8.31
8	A'	1346	1288	36.89
9	A'	1218	1166	12.07
10	A'	1113	1066	15.91
11	A'	925	886	8.85
12	A'	657	629	25.41
13	A'	433	415	1.60
14	A'	348	333	1.02
15	A'	286	274	0.08
16	A"	3136	3002	14.40
17	A"	3115	2982	2.05
18	A"	3040	2911	13.68
19	A"	1513	1449	0.21
20	A"	1510	1446	2.94
21	A"	1447	1386	14.05
22	A"	1384	1325	0.73
23	A"	1178	1128	1.61
24	A"	977	935	0.00
25	A"	958	917	1.46
26	A"	332	318	1.23
27	A"	252	241	0.05

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.888	1.015	0.000
C2	0.568	-0.064	0.000
C3	0.568	-0.901	1.271
C4	0.568	-0.901	-1.271
H5	1.423	0.620	0.000
H6	1.467	-1.531	1.298
H7	1.467	-1.531	-1.298
H8	0.563	-0.266	2.163
H9	0.563	-0.266	-2.163
H10	-0.314	-1.550	1.304
H11	-0.314	-1.550	-1.304

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8124	2.7218	2.7218	2.3439	3.7030	3.7030	2.9025	2.9025	2.9343	2.9343
C2	1.8124		1.5221	1.5221	1.0943	2.1553	2.1553	2.1721	2.1721	2.1649	2.1649
C3	2.7218	1.5221		2.5428	2.1584	1.0976	2.7941	1.0942	3.4922	1.0955	2.7987
C4	2.7218	1.5221	2.5428		2.1584	2.7941	1.0976	3.4922	1.0942	2.7987	1.0955
H5	2.3439	1.0943	2.1584	2.1584		2.5129	2.5129	2.4901	2.4901	3.0698	3.0698
H6	3.7030	2.1553	1.0976	2.7941	2.5129		2.5965	1.7787	3.7940	1.7803	3.1531
H7	3.7030	2.1553	2.7941	1.0976	2.5129	2.5965		3.7940	1.7787	3.1531	1.7803
H8	2.9025	2.1721	1.0942	3.4922	2.4901	1.7787	3.7940		4.3254	1.7759	3.7995
H9	2.9025	2.1721	3.4922	1.0942	2.4901	3.7940	1.7787	4.3254		3.7995	1.7759
H10	2.9343	2.1649	1.0955	2.7987	3.0698	1.7803	3.1531	1.7759	3.7995		2.6085
H11	2.9343	2.1649	2.7987	1.0955	3.0698	3.1531	1.7803	3.7995	1.7759	2.6085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.113	Cl1	C2	C4	109.113
Cl1	C3	H5	55.984	C2	C3	H6	109.650
C2	C3	H8	111.184	C2	C3	H10	110.532
C2	C4	H7	109.650	C2	C4	H9	111.184
C2	C4	H11	110.532	C3	C2	C4	113.284
C3	C2	H5	110.096	C4	C2	H5	110.096
H6	C3	H8	108.483	H6	C3	H10	108.535
H7	C4	H9	108.483	H7	C4	H11	108.535
H8	C3	H10	108.387	H9	C4	H11	108.387

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

using model chemistry: QCISD/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: QCISD/6-311G*

States and conformations

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