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	hartrees
Energy at 0K	-577.777145
Energy at 298.15K	-577.785002
HF Energy	-577.180065
Nuclear repulsion energy	166.767416

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'	3250	3037	19.95	56.35	0.65	0.79
2	A'	3234	3022	31.02	97.31	0.74	0.85
3	A'	3184	2975	8.03	96.50	0.40	0.57
4	A'	3136	2930	14.37	196.19	0.01	0.02
5	A'	1568	1465	6.73	2.24	0.71	0.83
6	A'	1554	1452	5.92	23.87	0.75	0.86
7	A'	1475	1379	5.09	2.42	0.63	0.77
8	A'	1358	1269	36.27	7.72	0.74	0.85
9	A'	1233	1152	11.86	1.23	0.67	0.80
10	A'	1127	1053	12.27	5.32	0.52	0.69
11	A'	942	880	8.26	8.53	0.66	0.79
12	A'	678	634	21.32	14.64	0.26	0.41
13	A'	435	407	1.40	1.12	0.19	0.32
14	A'	352	329	0.95	0.78	0.58	0.73
15	A'	292	273	0.14	0.06	0.70	0.83
16	A"	3248	3035	10.17	35.68	0.75	0.86
17	A"	3229	3017	1.48	10.77	0.75	0.86
18	A"	3133	2927	11.36	1.21	0.75	0.86
19	A"	1548	1446	0.59	20.69	0.75	0.86
20	A"	1542	1441	1.70	9.15	0.75	0.86
21	A"	1461	1365	8.85	3.89	0.75	0.86
22	A"	1405	1313	1.13	3.37	0.75	0.86
23	A"	1196	1117	2.01	4.46	0.75	0.86
24	A"	989	924	0.00	3.08	0.75	0.86
25	A"	969	905	1.27	0.06	0.75	0.86
26	A"	335	313	1.55	1.31	0.75	0.86
27	A"	261	244	0.04	0.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.877	1.017	0.000
C2	0.561	-0.064	0.000
C3	0.561	-0.902	1.262
C4	0.561	-0.902	-1.262
H5	1.418	0.606	0.000
H6	1.452	-1.528	1.282
H7	1.452	-1.528	-1.282
H8	0.558	-0.275	2.150
H9	0.558	-0.275	-2.150
H10	-0.316	-1.545	1.290
H11	-0.316	-1.545	-1.290

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.7989	2.7098	2.7098	2.3312	3.6801	3.6801	2.8894	2.8894	2.9226	2.9226
C2	1.7989		1.5150	1.5150	1.0881	2.1400	2.1400	2.1599	2.1599	2.1504	2.1504
C3	2.7098	1.5150		2.5248	2.1453	1.0892	2.7673	1.0864	3.4691	1.0877	2.7740
C4	2.7098	1.5150	2.5248		2.1453	2.7673	1.0892	3.4691	1.0864	2.7740	1.0877
H5	2.3312	1.0881	2.1453	2.1453		2.4898	2.4898	2.4771	2.4771	3.0490	3.0490
H6	3.6801	2.1400	1.0892	2.7673	2.4898		2.5633	1.7671	3.7607	1.7679	3.1204
H7	3.6801	2.1400	2.7673	1.0892	2.4898	2.5633		3.7607	1.7671	3.1204	1.7679
H8	2.8894	2.1599	1.0864	3.4691	2.4771	1.7671	3.7607		4.2991	1.7654	3.7690
H9	2.8894	2.1599	3.4691	1.0864	2.4771	3.7607	1.7671	4.2991		3.7690	1.7654
H10	2.9226	2.1504	1.0877	2.7740	3.0490	1.7679	3.1204	1.7654	3.7690		2.5793
H11	2.9226	2.1504	2.7740	1.0877	3.0490	3.1204	1.7679	3.7690	1.7654	2.5793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.413	Cl1	C2	C4	109.413
Cl1	C3	H5	55.946	C2	C3	H6	109.433
C2	C3	H8	111.182	C2	C3	H10	110.349
C2	C4	H7	109.433	C2	C4	H9	111.182
C2	C4	H11	110.349	C3	C2	C4	112.869
C3	C2	H5	109.913	C4	C2	H5	109.913
H6	C3	H8	108.629	H6	C3	H10	108.603
H7	C4	H9	108.629	H7	C4	H11	108.603
H8	C3	H10	108.587	H9	C4	H11	108.587

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

using model chemistry: MP2=FULL/6-31G**

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/6-31G**

States and conformations

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