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	hartrees
Energy at 0K	-156.170333
Energy at 298.15K	-156.178287
HF Energy	-156.170333
Nuclear repulsion energy	118.052486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3294	2986	60.53
2	A₁	3263	2958	19.10
3	A₁	3158	2862	12.03
4	A₁	1872	1697	5.19
5	A₁	1613	1462	5.17
6	A₁	1544	1399	1.93
7	A₁	1391	1260	0.00
8	A₁	1105	1001	0.83
9	A₁	913	827	0.59
10	A₁	308	279	0.00
11	A₂	3193	2894	0.00
12	A₂	1599	1449	0.00
13	A₂	1176	1066	0.00
14	A₂	1106	1003	0.00
15	A₂	435	394	0.00
16	A₂	140	127	0.00
17	B₁	3193	2895	65.83
18	B₁	1604	1454	10.99
19	B₁	1164	1055	9.51
20	B₁	765	694	41.69
21	B₁	139	126	0.78
22	B₂	3267	2961	20.69
23	B₂	3241	2938	8.86
24	B₂	3155	2860	64.73
25	B₂	1607	1456	4.28
26	B₂	1564	1417	4.53
27	B₂	1509	1368	5.48
28	B₂	1253	1135	0.06
29	B₂	1032	936	11.61
30	B₂	607	550	5.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.662	0.627
C2	0.000	-0.662	0.627
C3	0.000	1.659	-0.501
C4	0.000	-1.659	-0.501
H5	0.000	1.125	1.599
H6	0.000	-1.125	1.599
H7	0.000	1.224	-1.483
H8	0.000	-1.224	-1.483
H9	-0.869	2.306	-0.437
H10	0.869	2.306	-0.437
H11	0.869	-2.306	-0.437
H12	-0.869	-2.306	-0.437

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3250	1.5055	2.5811	1.0760	2.0342	2.1840	2.8310	2.1427	2.1427	3.2715	3.2715
C2	1.3250		2.5811	1.5055	2.0342	1.0760	2.8310	2.1840	3.2715	3.2715	2.1427	2.1427
C3	1.5055	2.5811		3.3176	2.1672	3.4869	1.0736	3.0458	1.0858	1.0858	4.0597	4.0597
C4	2.5811	1.5055	3.3176		3.4869	2.1672	3.0458	1.0736	4.0597	4.0597	1.0858	1.0858
H5	1.0760	2.0342	2.1672	3.4869		2.2492	3.0838	3.8753	2.5099	2.5099	4.0833	4.0833
H6	2.0342	1.0760	3.4869	2.1672	2.2492		3.8753	3.0838	4.0833	4.0833	2.5099	2.5099
H7	2.1840	2.8310	1.0736	3.0458	3.0838	3.8753		2.4488	1.7376	1.7376	3.7834	3.7834
H8	2.8310	2.1840	3.0458	1.0736	3.8753	3.0838	2.4488		3.7834	3.7834	1.7376	1.7376
H9	2.1427	3.2715	1.0858	4.0597	2.5099	4.0833	1.7376	3.7834		1.7388	4.9292	4.6123
H10	2.1427	3.2715	1.0858	4.0597	2.5099	4.0833	1.7376	3.7834	1.7388		4.6123	4.9292
H11	3.2715	2.1427	4.0597	1.0858	4.0833	2.5099	3.7834	1.7376	4.9292	4.6123		1.7388
H12	3.2715	2.1427	4.0597	1.0858	4.0833	2.5099	3.7834	1.7376	4.6123	4.9292	1.7388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	131.437	C1	C2	H6	115.432
C1	C3	H7	114.697	C1	C3	H9	110.516
C1	C3	H10	110.516	C2	C1	C3	131.437
C2	C1	H5	115.432	C2	C4	H8	114.697
C2	C4	H11	110.516	C2	C4	H12	110.516
C3	C1	H5	113.131	C4	C2	H6	113.131
H7	C3	H9	107.157	H7	C3	H10	107.157
H8	C4	H11	107.157	H8	C4	H12	107.157
H9	C3	H10	106.393	H11	C4	H12	106.393

All results from a given calculation for CH₃CHCHCH₃ (2-Butene, (Z)-)

using model chemistry: HF/Def2TZVPP

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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Number	Element	Mulliken
1	C	-0.103
2	C	-0.103
3	C	-0.134
4	C	-0.134
5	H	0.063
6	H	0.063
7	H	0.053
8	H	0.053
9	H	0.060
10	H	0.060
11	H	0.060
12	H	0.060

<r²>	99.166
(<r²>)^1/2	9.958

All results from a given calculation for CH3CHCHCH3 (2-Butene, (Z)-)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CHCHCH₃ (2-Butene, (Z)-)