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	hartrees
Energy at 0K	-577.774756
Energy at 298.15K	-577.782602
HF Energy	-577.215204
Nuclear repulsion energy	166.432376

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'	3190	3031	22.40	57.15	0.60	0.75
2	A'	3173	3015	33.93	106.07	0.73	0.84
3	A'	3135	2979	5.46	119.58	0.43	0.60
4	A'	3082	2929	16.48	233.98	0.01	0.02
5	A'	1545	1468	12.65	0.56	0.75	0.86
6	A'	1532	1456	7.81	15.79	0.75	0.86
7	A'	1459	1386	10.07	1.43	0.43	0.60
8	A'	1351	1283	35.34	8.17	0.74	0.85
9	A'	1221	1160	12.73	0.92	0.65	0.79
10	A'	1117	1061	17.39	5.03	0.48	0.65
11	A'	933	887	8.82	7.58	0.65	0.79
12	A'	672	639	22.23	14.59	0.26	0.41
13	A'	436	414	1.50	0.99	0.22	0.36
14	A'	351	334	0.97	1.13	0.73	0.85
15	A'	295	280	0.11	0.05	0.67	0.80
16	A"	3186	3028	10.94	41.50	0.75	0.86
17	A"	3167	3010	1.25	14.03	0.75	0.86
18	A"	3078	2925	12.03	1.61	0.75	0.86
19	A"	1521	1446	0.27	19.06	0.75	0.86
20	A"	1518	1442	3.57	1.89	0.75	0.86
21	A"	1444	1372	16.90	1.21	0.75	0.86
22	A"	1382	1313	0.84	2.88	0.75	0.86
23	A"	1183	1124	1.95	3.64	0.75	0.86
24	A"	979	930	0.00	2.29	0.75	0.86
25	A"	960	913	1.89	0.07	0.75	0.86
26	A"	335	318	1.18	1.19	0.75	0.86
27	A"	259	246	0.05	0.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.884	1.010	0.000
C2	0.566	-0.060	0.000
C3	0.566	-0.897	1.267
C4	0.566	-0.897	-1.267
H5	1.420	0.621	0.000
H6	1.462	-1.525	1.292
H7	1.462	-1.525	-1.292
H8	0.560	-0.265	2.156
H9	0.560	-0.265	-2.156
H10	-0.314	-1.543	1.296
H11	-0.314	-1.543	-1.296

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8025	2.7100	2.7100	2.3372	3.6879	3.6879	2.8915	2.8915	2.9192	2.9192
C2	1.8025		1.5181	1.5181	1.0923	2.1491	2.1491	2.1660	2.1660	2.1573	2.1573
C3	2.7100	1.5181		2.5332	2.1536	1.0942	2.7830	1.0911	3.4807	1.0924	2.7856
C4	2.7100	1.5181	2.5332		2.1536	2.7830	1.0942	3.4807	1.0911	2.7856	1.0924
H5	2.3372	1.0923	2.1536	2.1536		2.5057	2.5057	2.4850	2.4850	3.0613	3.0613
H6	3.6879	2.1491	1.0942	2.7830	2.5057		2.5848	1.7741	3.7808	1.7759	3.1391
H7	3.6879	2.1491	2.7830	1.0942	2.5057	2.5848		3.7808	1.7741	3.1391	1.7759
H8	2.8915	2.1660	1.0911	3.4807	2.4850	1.7741	3.7808		4.3125	1.7711	3.7835
H9	2.8915	2.1660	3.4807	1.0911	2.4850	3.7808	1.7741	4.3125		3.7835	1.7711
H10	2.9192	2.1573	1.0924	2.7856	3.0613	1.7759	3.1391	1.7711	3.7835		2.5921
H11	2.9192	2.1573	2.7856	1.0924	3.0613	3.1391	1.7759	3.7835	1.7711	2.5921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.096	Cl1	C2	C4	109.096
Cl1	C3	H5	56.045	C2	C3	H6	109.642
C2	C3	H8	111.170	C2	C3	H10	110.399
C2	C4	H7	109.642	C2	C4	H9	111.170
C2	C4	H11	110.399	C3	C2	C4	113.095
C3	C2	H5	110.106	C4	C2	H5	110.106
H6	C3	H8	108.545	H6	C3	H10	108.617
H7	C4	H9	108.545	H7	C4	H11	108.617
H8	C3	H10	108.404	H9	C4	H11	108.404

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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