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	hartrees
Energy at 0K	-577.865491
Energy at 298.15K	-577.873275
HF Energy	-577.189781
Nuclear repulsion energy	166.588979

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'	3220	3041	10.81	51.34	0.64	0.78
2	A'	3202	3024	18.68	91.29	0.74	0.85
3	A'	3155	2980	4.09	89.57	0.40	0.57
4	A'	3106	2934	10.79	194.19	0.01	0.02
5	A'	1534	1449	6.92	1.60	0.71	0.83
6	A'	1520	1436	6.91	19.84	0.75	0.86
7	A'	1436	1356	5.87	1.73	0.61	0.76
8	A'	1311	1238	33.45	5.34	0.71	0.83
9	A'	1203	1136	14.83	1.03	0.60	0.75
10	A'	1097	1036	14.51	4.02	0.40	0.57
11	A'	927	876	8.69	7.38	0.60	0.75
12	A'	670	633	20.97	13.97	0.21	0.34
13	A'	425	401	1.44	1.08	0.11	0.20
14	A'	341	322	1.15	0.74	0.52	0.69
15	A'	285	270	0.17	0.05	0.63	0.77
16	A"	3217	3038	5.91	31.99	0.75	0.86
17	A"	3197	3020	0.78	11.35	0.75	0.86
18	A"	3104	2932	7.59	1.44	0.75	0.86
19	A"	1512	1428	0.55	15.51	0.75	0.86
20	A"	1508	1424	1.82	8.81	0.75	0.86
21	A"	1421	1342	10.23	2.52	0.75	0.86
22	A"	1372	1296	1.01	2.51	0.75	0.86
23	A"	1175	1109	2.09	3.41	0.75	0.86
24	A"	967	913	0.00	2.25	0.75	0.86
25	A"	946	894	1.56	0.08	0.75	0.86
26	A"	328	310	1.39	1.14	0.75	0.86
27	A"	253	239	0.02	0.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.886	1.007	0.000
C2	0.568	-0.056	0.000
C3	0.568	-0.896	1.264
C4	0.568	-0.896	-1.264
H5	1.415	0.631	0.000
H6	1.466	-1.518	1.288
H7	1.466	-1.518	-1.288
H8	0.555	-0.268	2.154
H9	0.555	-0.268	-2.154
H10	-0.307	-1.547	1.285
H11	-0.307	-1.547	-1.285

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8012	2.7082	2.7082	2.3320	3.6835	3.6835	2.8885	2.8885	2.9178	2.9178
C2	1.8012		1.5177	1.5177	1.0907	2.1455	2.1455	2.1647	2.1647	2.1544	2.1544
C3	2.7082	1.5177		2.5279	2.1556	1.0927	2.7759	1.0895	3.4754	1.0909	2.7726
C4	2.7082	1.5177	2.5279		2.1556	2.7759	1.0927	3.4754	1.0895	2.7726	1.0909
H5	2.3320	1.0907	2.1556	2.1556		2.5058	2.5058	2.4878	2.4878	3.0597	3.0597
H6	3.6835	2.1455	1.0927	2.7759	2.5058		2.5758	1.7730	3.7738	1.7729	3.1247
H7	3.6835	2.1455	2.7759	1.0927	2.5058	2.5758		3.7738	1.7730	3.1247	1.7729
H8	2.8885	2.1647	1.0895	3.4754	2.4878	1.7730	3.7738		4.3085	1.7704	3.7694
H9	2.8885	2.1647	3.4754	1.0895	2.4878	3.7738	1.7730	4.3085		3.7694	1.7704
H10	2.9178	2.1544	1.0909	2.7726	3.0597	1.7729	3.1247	1.7704	3.7694		2.5703
H11	2.9178	2.1544	2.7726	1.0909	3.0597	3.1247	1.7729	3.7694	1.7704	2.5703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.070	Cl1	C2	C4	109.070
Cl1	C3	H5	55.920	C2	C3	H6	109.480
C2	C3	H8	111.195	C2	C3	H10	110.286
C2	C4	H7	109.480	C2	C4	H9	111.195
C2	C4	H11	110.286	C3	C2	C4	112.781
C3	C2	H5	110.393	C4	C2	H5	110.393
H6	C3	H8	108.676	H6	C3	H10	108.570
H7	C4	H9	108.676	H7	C4	H11	108.570
H8	C3	H10	108.576	H9	C4	H11	108.576

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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