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	hartrees
Energy at 0K	-35.485403
Energy at 298.15K	-35.493052
HF Energy	-35.170977
Nuclear repulsion energy	70.509462

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'	3105	3030	51.64	45.95	0.40	0.57
2	A'	3081	3008	49.22	90.13	0.66	0.80
3	A'	3063	2990	1.49	154.86	0.50	0.66
4	A'	2973	2902	29.80	277.03	0.02	0.03
5	A'	1527	1491	9.71	3.68	0.75	0.86
6	A'	1518	1482	8.62	17.65	0.75	0.85
7	A'	1464	1429	7.01	1.25	0.71	0.83
8	A'	1310	1278	40.55	13.43	0.68	0.81
9	A'	1219	1190	17.40	2.10	0.75	0.86
10	A'	1092	1065	10.05	9.91	0.57	0.73
11	A'	892	871	10.43	12.57	0.65	0.79
12	A'	586	571	27.02	30.03	0.29	0.45
13	A'	408	398	2.22	2.79	0.20	0.34
14	A'	328	320	1.72	2.54	0.58	0.73
15	A'	267	260	0.14	0.07	0.75	0.86
16	A"	3097	3023	20.03	37.87	0.75	0.86
17	A"	3072	2998	4.43	16.20	0.75	0.86
18	A"	2969	2898	18.53	2.74	0.75	0.86
19	A"	1509	1473	1.04	20.12	0.75	0.86
20	A"	1502	1466	3.00	5.53	0.75	0.86
21	A"	1445	1411	12.56	2.15	0.75	0.86
22	A"	1375	1342	5.40	4.28	0.75	0.86
23	A"	1163	1135	2.90	6.54	0.75	0.86
24	A"	971	947	0.25	3.08	0.75	0.86
25	A"	952	930	0.82	0.19	0.75	0.86
26	A"	308	301	2.29	2.24	0.75	0.86
27	A"	229	224	0.11	0.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.956	1.031	0.000
C2	0.616	-0.073	0.000
C3	0.616	-0.915	1.300
C4	0.616	-0.915	-1.300
H5	1.437	0.659	0.000
H6	1.539	-1.522	1.335
H7	1.539	-1.522	-1.335
H8	0.583	-0.270	2.191
H9	0.583	-0.270	-2.191
H10	-0.255	-1.590	1.321
H11	-0.255	-1.590	-1.321

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.9209	2.8193	2.8193	2.4224	3.8112	3.8112	2.9766	2.9766	3.0175	3.0175
C2	1.9209		1.5489	1.5489	1.0996	2.1761	2.1761	2.1998	2.1998	2.1923	2.1923
C3	2.8193	1.5489		2.5992	2.2002	1.1050	2.8571	1.1005	3.5495	1.1018	2.8428
C4	2.8193	1.5489	2.5992		2.2002	2.8571	1.1050	3.5495	1.1005	2.8428	1.1018
H5	2.4224	1.0996	2.2002	2.2002		2.5589	2.5589	2.5283	2.5283	3.1088	3.1088
H6	3.8112	2.1761	1.1050	2.8571	2.5589		2.6709	1.7922	3.8618	1.7951	3.2062
H7	3.8112	2.1761	2.8571	1.1050	2.5589	2.6709		3.8618	1.7922	3.2062	1.7951
H8	2.9766	2.1998	1.1005	3.5495	2.5283	1.7922	3.8618		4.3812	1.7885	3.8438
H9	2.9766	2.1998	3.5495	1.1005	2.5283	3.8618	1.7922	4.3812		3.8438	1.7885
H10	3.0175	2.1923	1.1018	2.8428	3.1088	1.7951	3.2062	1.7885	3.8438		2.6423
H11	3.0175	2.1923	2.8428	1.1018	3.1088	3.2062	1.7951	3.8438	1.7885	2.6423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	108.209	Cl1	C2	C4	108.209
Cl1	C3	H5	56.091	C2	C3	H6	109.016
C2	C3	H8	111.131	C2	C3	H10	110.458
C2	C4	H7	109.016	C2	C4	H9	111.131
C2	C4	H11	110.458	C3	C2	C4	114.080
C3	C2	H5	111.210	C4	C2	H5	111.210
H6	C3	H8	108.711	H6	C3	H10	108.872
H7	C4	H9	108.711	H7	C4	H11	108.872
H8	C3	H10	108.606	H9	C4	H11	108.606

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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