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	hartrees
Energy at 0K	-615.736867
Energy at 298.15K	-615.744199
HF Energy	-615.041458
Nuclear repulsion energy	211.601664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3326	3168	1.06
2	A'	3217	3064	0.16
3	A'	3189	3037	17.51
4	A'	3089	2943	15.26
5	A'	3085	2938	14.77
6	A'	1700	1619	32.06
7	A'	1508	1437	3.62
8	A'	1469	1399	5.99
9	A'	1429	1361	3.66
10	A'	1410	1343	0.70
11	A'	1372	1307	7.73
12	A'	1168	1113	50.31
13	A'	1090	1038	3.62
14	A'	1039	990	2.70
15	A'	894	852	7.64
16	A'	699	666	22.42
17	A'	428	408	0.88
18	A'	364	346	2.29
19	A'	255	243	0.33
20	A"	3191	3039	19.99
21	A"	3133	2984	5.89
22	A"	1496	1425	7.07
23	A"	1291	1230	0.50
24	A"	1112	1059	1.33
25	A"	880	838	39.15
26	A"	806	767	1.21
27	A"	706	673	0.01
28	A"	438	417	5.27
29	A"	280	267	0.09
30	A"	103	98	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	2.099	-1.147	0.000
H2	2.437	-2.196	0.000
H3	2.517	-0.655	0.893
H4	2.517	-0.655	-0.893
C5	0.572	-1.090	0.000
H6	0.168	-1.621	-0.881
H7	0.168	-1.621	0.881
C8	0.682	1.465	0.000
H9	1.774	1.456	0.000
C10	0.000	0.305	0.000
Cl11	-1.757	0.333	0.000
H12	0.166	2.428	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	H9	C10	Cl11	H12
C1		1.1017	1.1023	1.1023	1.5282	2.1750	2.1750	2.9723	2.6235	2.5523	4.1302	4.0642
H2	1.1017		1.7826	1.7826	2.1688	2.5018	2.5018	4.0602	3.7114	3.4919	4.8976	5.1513
H3	1.1023	1.7826		1.7867	2.1841	3.0984	2.5400	2.9432	2.4098	2.8381	4.4767	3.9788
H4	1.1023	1.7826	1.7867		2.1841	2.5400	3.0984	2.9432	2.4098	2.8381	4.4767	3.9788
C5	1.5282	2.1688	2.1841	2.1841		1.1054	1.1054	2.5574	2.8152	1.5070	2.7289	3.5406
H6	2.1750	2.5018	3.0984	2.5400	1.1054		1.7623	3.2504	3.5809	2.1240	2.8805	4.1431
H7	2.1750	2.5018	2.5400	3.0984	1.1054	1.7623		3.2504	3.5809	2.1240	2.8805	4.1431
C8	2.9723	4.0602	2.9432	2.9432	2.5574	3.2504	3.2504		1.0922	1.3464	2.6889	1.0920
H9	2.6235	3.7114	2.4098	2.4098	2.8152	3.5809	3.5809	1.0922		2.1151	3.7053	1.8793
C10	2.5523	3.4919	2.8381	2.8381	1.5070	2.1240	2.1240	1.3464	2.1151		1.7570	2.1294
Cl11	4.1302	4.8976	4.4767	4.4767	2.7289	2.8805	2.8805	2.6889	3.7053	1.7570		2.8430
H12	4.0642	5.1513	3.9788	3.9788	3.5406	4.1431	4.1431	1.0920	1.8793	2.1294	2.8430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.321	C1	C5	H7	110.321
C1	C5	C10	114.471	H2	C1	H3	107.961
H2	C1	H4	107.961	H2	C1	C5	110.056
H3	C1	H4	108.284	H3	C1	C5	111.229
H4	C1	C5	111.229	C5	C10	C8	127.256
C5	C10	Cl11	113.234	H6	C5	H7	105.713
H6	C5	C10	107.802	H7	C5	C10	107.802
C8	C10	Cl11	119.510	H9	C8	C10	119.940
H9	C8	H12	118.722	C10	C8	H12	121.338

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

using model chemistry: MP2/cc-pVDZ

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: MP2/cc-pVDZ

States and conformations

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