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	hartrees
Energy at 0K	-615.743411
Energy at 298.15K	-615.750802
HF Energy	-615.019659
Nuclear repulsion energy	213.084240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3374	3153	1.93
2	A'	3270	3055	0.20
3	A'	3237	3025	19.24
4	A'	3139	2933	16.49
5	A'	3129	2924	11.18
6	A'	1731	1617	28.31
7	A'	1572	1469	3.79
8	A'	1537	1437	4.99
9	A'	1479	1382	2.25
10	A'	1462	1366	2.11
11	A'	1419	1326	7.13
12	A'	1195	1117	56.76
13	A'	1114	1041	2.09
14	A'	1055	986	2.32
15	A'	908	849	8.19
16	A'	711	664	23.03
17	A'	437	409	0.86
18	A'	372	348	2.38
19	A'	262	245	0.35
20	A"	3239	3026	22.30
21	A"	3178	2969	7.01
22	A"	1559	1457	6.28
23	A"	1332	1244	0.38
24	A"	1151	1075	0.98
25	A"	892	834	43.51
26	A"	830	776	0.74
27	A"	721	673	0.06
28	A"	444	415	4.25
29	A"	285	267	0.02
30	A"	98	92	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	2.086	-1.143	0.000
H2	2.419	-2.178	0.000
H3	2.497	-0.657	0.882
H4	2.497	-0.657	-0.882
C5	0.566	-1.086	0.000
H6	0.171	-1.612	-0.871
H7	0.171	-1.612	0.871
C8	0.682	1.449	0.000
H9	1.760	1.439	0.000
C10	0.000	0.302	0.000
Cl11	-1.747	0.338	0.000
H12	0.182	2.404	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	H9	C10	Cl11	H12
C1		1.0874	1.0876	1.0876	1.5207	2.1550	2.1550	2.9479	2.6030	2.5377	4.1091	4.0255
H2	1.0874		1.7599	1.7599	2.1508	2.4762	2.4762	4.0217	3.6772	3.4647	4.8668	5.0988
H3	1.0876	1.7599		1.7637	2.1657	3.0650	2.5144	2.9171	2.3911	2.8169	4.4479	3.9381
H4	1.0876	1.7599	1.7637		2.1657	2.5144	3.0650	2.9171	2.3911	2.8169	4.4479	3.9381
C5	1.5207	2.1508	2.1657	2.1657		1.0915	1.0915	2.5376	2.7930	1.4990	2.7162	3.5104
H6	2.1550	2.4762	3.0650	2.5144	1.0915		1.7418	3.2232	3.5485	2.1098	2.8702	4.1087
H7	2.1550	2.4762	2.5144	3.0650	1.0915	1.7418		3.2232	3.5485	2.1098	2.8702	4.1087
C8	2.9479	4.0217	2.9171	2.9171	2.5376	3.2232	3.2232		1.0777	1.3346	2.6719	1.0777
H9	2.6030	3.6772	2.3911	2.3911	2.7930	3.5485	3.5485	1.0777		2.0953	3.6762	1.8493
C10	2.5377	3.4647	2.8169	2.8169	1.4990	2.1098	2.1098	1.3346	2.0953		1.7476	2.1092
Cl11	4.1091	4.8668	4.4479	4.4479	2.7162	2.8702	2.8702	2.6719	3.6762	1.7476		2.8268
H12	4.0255	5.0988	3.9381	3.9381	3.5104	4.1087	4.1087	1.0777	1.8493	2.1092	2.8268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.091	C1	C5	H7	110.091
C1	C5	C10	114.358	H2	C1	H3	108.020
H2	C1	H4	108.020	H2	C1	C5	109.996
H3	C1	H4	108.347	H3	C1	C5	111.172
H4	C1	C5	111.172	C5	C10	C8	127.058
C5	C10	Cl11	113.348	H6	C5	H7	105.865
H6	C5	C10	108.030	H7	C5	C10	108.030
C8	C10	Cl11	119.594	H9	C8	C10	120.224
H9	C8	H12	118.194	C10	C8	H12	121.582

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

using model chemistry: MP2=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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