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	hartrees
Energy at 0K	-578.013642
Energy at 298.15K	-578.007318
HF Energy	-577.169364
Nuclear repulsion energy	166.049929

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'	3313	3121	53.06	34.98	0.09	0.17
2	A'	3292	3102	24.67	97.82	0.70	0.82
3	A'	3276	3087	19.46	164.65	0.63	0.77
4	A'	3215	3029	30.48	211.99	0.03	0.06
5	A'	1650	1555	6.09	1.71	0.68	0.81
6	A'	1638	1543	4.79	26.27	0.75	0.86
7	A'	1576	1485	3.88	2.11	0.72	0.84
8	A'	1426	1344	51.08	7.64	0.74	0.85
9	A'	1300	1224	15.68	1.51	0.52	0.69
10	A'	1190	1121	15.13	5.10	0.49	0.65
11	A'	958	903	14.96	11.78	0.58	0.74
12	A'	669	631	49.93	21.20	0.30	0.46
13	A'	453	427	2.90	1.86	0.17	0.29
14	A'	363	342	1.81	1.11	0.54	0.70
15	A'	290	274	0.09	0.05	0.74	0.85
16	A"	3300	3109	19.52	44.58	0.75	0.86
17	A"	3274	3085	4.95	12.10	0.75	0.86
18	A"	3208	3023	16.48	1.62	0.75	0.86
19	A"	1630	1536	0.80	20.69	0.75	0.86
20	A"	1627	1533	1.34	11.24	0.75	0.86
21	A"	1563	1472	5.69	2.43	0.75	0.86
22	A"	1494	1408	1.26	3.73	0.75	0.86
23	A"	1239	1167	1.88	5.29	0.75	0.86
24	A"	1037	977	0.03	4.50	0.75	0.86
25	A"	1028	969	1.01	0.07	0.75	0.86
26	A"	348	328	2.05	1.38	0.75	0.86
27	A"	260	245	0.04	0.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.881	1.014	0.000
C2	0.564	-0.062	0.000
C3	0.564	-0.900	1.264
C4	0.564	-0.900	-1.264
H5	1.421	0.616	0.000
H6	1.460	-1.527	1.285
H7	1.460	-1.527	-1.285
H8	0.558	-0.270	2.155
H9	0.558	-0.270	-2.155
H10	-0.316	-1.548	1.291
H11	-0.316	-1.548	-1.291

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8017	2.7110	2.7110	2.3358	3.6870	3.6870	2.8925	2.8925	2.9243	2.9243
C2	1.8017		1.5164	1.5164	1.0924	2.1455	2.1455	2.1652	2.1652	2.1559	2.1559
C3	2.7110	1.5164		2.5276	2.1515	1.0944	2.7740	1.0916	3.4766	1.0928	2.7785
C4	2.7110	1.5164	2.5276		2.1515	2.7740	1.0944	3.4766	1.0916	2.7785	1.0928
H5	2.3358	1.0924	2.1515	2.1515		2.4994	2.4994	2.4845	2.4845	3.0599	3.0599
H6	3.6870	2.1455	1.0944	2.7740	2.4994		2.5705	1.7752	3.7725	1.7761	3.1291
H7	3.6870	2.1455	2.7740	1.0944	2.4994	2.5705		3.7725	1.7752	3.1291	1.7761
H8	2.8925	2.1652	1.0916	3.4766	2.4845	1.7752	3.7725		4.3105	1.7733	3.7780
H9	2.8925	2.1652	3.4766	1.0916	2.4845	3.7725	1.7752	4.3105		3.7780	1.7733
H10	2.9243	2.1559	1.0928	2.7785	3.0599	1.7761	3.1291	1.7733	3.7780		2.5818
H11	2.9243	2.1559	2.7785	1.0928	3.0599	3.1291	1.7761	3.7780	1.7733	2.5818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.312	Cl1	C2	C4	109.312
Cl1	C3	H5	55.613	C2	C3	H6	109.320
C2	C3	H8	111.217	C2	C3	H10	110.868
C2	C4	H7	109.320	C2	C4	H9	111.217
C2	C4	H11	110.868	C3	C2	C4	113.273
C3	C2	H5	110.133	C4	C2	H5	110.133
H6	C3	H8	108.412	H6	C3	H10	108.439
H7	C4	H9	108.412	H7	C4	H11	108.439
H8	C3	H10	108.510	H9	C4	H11	108.510

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

using model chemistry: G2

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: G2

States and conformations

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