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	hartrees
Energy at 0K	-615.748748
Energy at 298.15K	-615.755517
HF Energy	-615.062620
Nuclear repulsion energy	211.267474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	3049	20.67
2	A'	3200	3041	4.30
3	A'	3187	3028	10.32
4	A'	3086	2933	10.64
5	A'	3077	2924	24.03
6	A'	1728	1642	12.54
7	A'	1534	1458	12.31
8	A'	1522	1446	7.00
9	A'	1457	1385	9.98
10	A'	1446	1374	2.13
11	A'	1378	1310	1.46
12	A'	1174	1116	36.06
13	A'	1112	1057	30.14
14	A'	1036	985	6.99
15	A'	942	896	14.13
16	A'	694	660	17.53
17	A'	446	424	5.44
18	A'	352	335	0.19
19	A'	274	261	0.28
20	A"	3162	3004	9.04
21	A"	3144	2988	15.04
22	A"	1522	1447	14.50
23	A"	1510	1435	4.84
24	A"	1079	1025	0.55
25	A"	1068	1015	0.06
26	A"	822	782	24.19
27	A"	421	400	5.28
28	A"	229	217	0.56
29	A"	148	141	0.55
30	A"	88	83	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	-2.172	-1.132	0.000
H2	-2.702	-0.180	0.000
H3	-2.495	-1.697	0.879
H4	-2.495	-1.697	-0.879
C5	0.000	0.177	0.000
H6	-0.103	-1.901	0.000
C7	-0.679	-0.978	0.000
H8	-0.154	2.116	0.881
H9	-0.154	2.116	-0.881
C10	-0.515	1.580	0.000
Cl11	1.759	0.103	0.000
H12	-1.605	1.604	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.0897	1.0943	1.0943	2.5358	2.2076	1.5009	3.9241	3.9241	3.1778	4.1209	2.7944
H2	1.0897		1.7663	1.7663	2.7255	3.1174	2.1748	3.5413	3.5413	2.8068	4.4703	2.0944
H3	1.0943	1.7663		1.7589	3.2420	2.5569	2.1419	4.4746	4.8086	3.9285	4.7026	3.5308
H4	1.0943	1.7663	1.7589		3.2420	2.5569	2.1419	4.8086	4.4746	3.9285	4.7026	3.5308
C5	2.5358	2.7255	3.2420	3.2420		2.0797	1.3397	2.1356	2.1356	1.4948	1.7607	2.1482
H6	2.2076	3.1174	2.5569	2.5569	2.0797		1.0877	4.1122	4.1122	3.5047	2.7355	3.8133
C7	1.5009	2.1748	2.1419	2.1419	1.3397	1.0877		3.2597	3.2597	2.5632	2.6675	2.7434
H8	3.9241	3.5413	4.4746	4.8086	2.1356	4.1122	3.2597		1.7626	1.0930	2.9130	1.7734
H9	3.9241	3.5413	4.8086	4.4746	2.1356	4.1122	3.2597	1.7626		1.0930	2.9130	1.7734
C10	3.1778	2.8068	3.9285	3.9285	1.4948	3.5047	2.5632	1.0930	1.0930		2.7116	1.0901
Cl11	4.1209	4.4703	4.7026	4.7026	1.7607	2.7355	2.6675	2.9130	2.9130	2.7116		3.6839
H12	2.7944	2.0944	3.5308	3.5308	2.1482	3.8133	2.7434	1.7734	1.7734	1.0901	3.6839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	126.341	C1	C7	H6	116.126
H2	C1	H3	107.944	H2	C1	H4	107.944
H2	C1	C7	113.221	H3	C1	H4	106.962
H3	C1	C7	110.268	H4	C1	C7	110.268
C5	C7	H6	117.533	C5	C10	H8	110.260
C5	C10	H9	110.260	C5	C10	H12	111.454
C7	C5	C10	129.374	C7	C5	Cl11	118.080
H8	C10	H9	107.468	H8	C10	H12	108.645
H9	C10	H12	108.645	C10	C5	Cl11	112.547

All results from a given calculation for CH₃CClCHCH₃ (2-Butene, 2-chloro-, (E)-)

using model chemistry: MP2/6-311G*

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 CH3CClCHCH3 (2-Butene, 2-chloro-, (E)-)

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for CH₃CClCHCH₃ (2-Butene, 2-chloro-, (E)-)