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	hartrees
Energy at 0K	-616.851216
Energy at 298.15K	-616.858434
HF Energy	-616.851216
Nuclear repulsion energy	212.115804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3147	2.75
2	A'	3169	3058	0.98
3	A'	3117	3008	25.10
4	A'	3039	2933	21.54
5	A'	3027	2921	14.48
6	A'	1704	1644	39.48
7	A'	1521	1468	2.91
8	A'	1483	1431	5.26
9	A'	1433	1383	3.40
10	A'	1408	1359	1.48
11	A'	1365	1318	4.34
12	A'	1142	1102	60.76
13	A'	1071	1034	3.06
14	A'	1014	978	1.39
15	A'	866	835	12.36
16	A'	671	647	34.36
17	A'	418	403	1.54
18	A'	348	336	3.29
19	A'	240	232	0.35
20	A"	3114	3005	29.82
21	A"	3056	2949	6.41
22	A"	1509	1456	5.65
23	A"	1288	1243	0.48
24	A"	1112	1073	0.85
25	A"	904	873	39.00
26	A"	797	769	1.15
27	A"	706	681	0.02
28	A"	442	427	4.27
29	A"	256	247	0.00
30	A"	101	98	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	2.139	-1.075	0.000
H2	2.502	-2.106	0.000
H3	2.542	-0.575	0.887
H4	2.542	-0.575	-0.887
C5	0.609	-1.065	0.000
H6	0.227	-1.608	-0.874
H7	0.227	-1.608	0.874
C8	0.618	1.485	0.000
H9	1.701	1.529	0.000
C10	0.000	0.309	0.000
Cl11	-1.765	0.270	0.000
H12	0.075	2.422	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	H9	C10	Cl11	H12
C1		1.0938	1.0946	1.0946	1.5306	2.1692	2.1692	2.9778	2.6401	2.5474	4.1295	4.0601
H2	1.0938		1.7700	1.7700	2.1615	2.4883	2.4883	4.0560	3.7225	3.4778	4.8849	5.1377
H3	1.0946	1.7700		1.7737	2.1825	3.0865	2.5351	2.9551	2.4330	2.8333	4.4778	3.9814
H4	1.0946	1.7700	1.7737		2.1825	2.5351	3.0865	2.9551	2.4330	2.8333	4.4778	3.9814
C5	1.5306	2.1615	2.1825	2.1825		1.0975	1.0975	2.5499	2.8144	1.5021	2.7234	3.5270
H6	2.1692	2.4883	3.0865	2.5351	1.0975		1.7475	3.2379	3.5746	2.1185	2.8738	4.1261
H7	2.1692	2.4883	2.5351	3.0865	1.0975	1.7475		3.2379	3.5746	2.1185	2.8738	4.1261
C8	2.9778	4.0560	2.9551	2.9551	2.5499	3.2379	3.2379		1.0843	1.3289	2.6749	1.0824
H9	2.6401	3.7225	2.4330	2.4330	2.8144	3.5746	3.5746	1.0843		2.0937	3.6879	1.8552
C10	2.5474	3.4778	2.8333	2.8333	1.5021	2.1185	2.1185	1.3289	2.0937		1.7656	2.1144
Cl11	4.1295	4.8849	4.4778	4.4778	2.7234	2.8738	2.8738	2.6749	3.6879	1.7656		2.8311
H12	4.0601	5.1377	3.9814	3.9814	3.5270	4.1261	4.1261	1.0824	1.8552	2.1144	2.8311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.169	C1	C5	H7	110.169
C1	C5	C10	114.273	H2	C1	H3	107.954
H2	C1	H4	107.954	H2	C1	C5	109.781
H3	C1	H4	108.227	H3	C1	C5	111.397
H4	C1	C5	111.397	C5	C10	C8	128.394
C5	C10	Cl11	112.654	H6	C5	H7	105.529
H6	C5	C10	108.153	H7	C5	C10	108.153
C8	C10	Cl11	118.953	H9	C8	C10	120.017
H9	C8	H12	117.789	C10	C8	H12	122.194

All results from a given calculation for CH₂CClCH₂CH₃ (1-Butene, 2-chloro-)

using model chemistry: TPSSh/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 CH2CClCH2CH3 (1-Butene, 2-chloro-)

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

States and conformations

All results from a given calculation for CH₂CClCH₂CH₃ (1-Butene, 2-chloro-)